PubChemLite - 1-bromo-2,3,5,6-tetrafluoro-4-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propyl}benzene (C15BrF23O2)

Structural Information

Molecular Formula

SMILES

C1(=C(C(=C(C(=C1F)F)Br)F)F)C(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

InChI

InChI=1S/C15BrF23O2/c16-2-5(19)3(17)1(4(18)6(2)20)7(21,22)9(25,12(30,31)32)40-15(38,39)10(26,13(33,34)35)41-14(36,37)8(23,24)11(27,28)29

InChIKey

MVLBMYHONBYWAB-UHFFFAOYSA-N

Compound name

1-bromo-2,3,5,6-tetrafluoro-4-[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]propyl]benzene

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]+	728.87874	208.8
[M+Na]+	750.86068	213.9
[M-H]-	726.86418	216.4
[M+NH4]+	745.90528	219.1
[M+K]+	766.83462	223.2
[M+H-H2O]+	710.86872	199.4
[M+HCOO]-	772.86966	229.2
[M+CH3COO]-	786.88531	262.5
[M+Na-2H]-	748.84613	207.8
[M]+	727.87091	204.0
[M]-	727.87201	204.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

728.87874

208.8

[M+Na]+

750.86068

213.9

[M-H]-

726.86418

216.4

[M+NH4]+

745.90528

219.1

[M+K]+

766.83462

223.2

[M+H-H2O]+

710.86872

199.4

[M+HCOO]-

772.86966

229.2

[M+CH3COO]-

786.88531

262.5

[M+Na-2H]-

748.84613

207.8

[M]+

727.87091

204.0

[M]-

727.87201

204.0

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

1-bromo-2,3,5,6-tetrafluoro-4-{1,1,2,3,3,3-hexafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]propyl}benzene

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe