PubChemLite - 3,6,9,12-tetraoxapentadecanoyl fluoride, 2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-heptadecafluoro-2,5,8,11-tetrakis(trifluoromethyl)- (C15F30O5)

Structural Information

Molecular Formula

SMILES

C(=O)(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)F

InChI

InChI=1S/C15F30O5/c16-1(46)2(17,7(23,24)25)47-13(40,41)4(20,9(29,30)31)49-15(44,45)6(22,11(35,36)37)50-14(42,43)5(21,10(32,33)34)48-12(38,39)3(18,19)8(26,27)28

InChIKey

QDHLRGOEEBWEIB-UHFFFAOYSA-N

Compound name

2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]propoxy]propanoyl fluoride

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	830.93398	210.8
[M+Na]+	852.91592	212.9
[M-H]-	828.91942	225.0
[M+NH4]+	847.96052	225.4
[M+K]+	868.88986	227.8
[M+H-H2O]+	812.92396	198.4
[M+HCOO]-	874.92490	226.1
[M+CH3COO]-	888.94055	269.6
[M+Na-2H]-	850.90137	213.1
[M]+	829.92615	209.1
[M]-	829.92725	209.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

830.93398

210.8

[M+Na]+

852.91592

212.9

[M-H]-

828.91942

225.0

[M+NH4]+

847.96052

225.4

[M+K]+

868.88986

227.8

[M+H-H2O]+

812.92396

198.4

[M+HCOO]-

874.92490

226.1

[M+CH3COO]-

888.94055

269.6

[M+Na-2H]-

850.90137

213.1

[M]+

829.92615

209.1

[M]-

829.92725

209.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

3,6,9,12-tetraoxapentadecanoyl fluoride, 2,4,4,5,7,7,8,10,10,11,13,13,14,14,15,15,15-heptadecafluoro-2,5,8,11-tetrakis(trifluoromethyl)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe