Hentriacontafluorohexadecanoyl fluoride (C16F32O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C16F32O/c17-1(49)2(18,19)3(20,21)4(22,23)5(24,25)6(26,27)7(28,29)8(30,31)9(32,33)10(34,35)11(36,37)12(38,39)13(40,41)14(42,43)15(44,45)16(46,47)48

InChIKey

ILEPULLEPPEBPZ-UHFFFAOYSA-N

Compound name

2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-hentriacontafluorohexadecanoyl 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]+	816.951076	214.8
[M+Na]+	838.933018	217.5
[M-H]-	814.936524	227.6
[M+NH4]+	833.977623	227.6
[M+K]+	854.906958	232.9
[M+H-H2O]+	798.941060	202.3
[M+HCOO]-	860.942001	229.5
[M+CH3COO]-	874.957651	270.1
[M+Na-2H]-	836.918466	218.1
[M]+	815.94325142	211.5
[M]-	815.94434858	211.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

816.951076

214.8

[M+Na]+

838.933018

217.5

[M-H]-

814.936524

227.6

[M+NH4]+

833.977623

227.6

[M+K]+

854.906958

232.9

[M+H-H2O]+

798.941060

202.3

[M+HCOO]-

860.942001

229.5

[M+CH3COO]-

874.957651

270.1

[M+Na-2H]-

836.918466

218.1

[M]+

815.94325142

211.5

[M]-

815.94434858

211.5

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

Hentriacontafluorohexadecanoyl fluoride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe