CID 4149914

Vinyl nonafluoro-1-butanesulfonate

Structural Information

Molecular Formula

C₆H₃F₉O₃S

SMILES

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

InChI

InChI=1S/C6H3F9O3S/c1-2-18-19(16,17)6(14,15)4(9,10)3(7,8)5(11,12)13/h2H,1H2

InChIKey

SZQVETPSXXBSDR-UHFFFAOYSA-N

Compound name

ethenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 12
Patents: 325.9659 Da
Monoisotopic Mass: 3.6
XlogP (predicted)

Profile

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]+	326.97318	191.0
[M+Na]+	348.95512	191.2
[M+NH4]+	343.99972	189.8
[M+K]+	364.92906	188.3
[M-H]-	324.95862	182.1
[M+Na-2H]-	346.94057	187.0
[M]+	325.96535	188.3
[M]-	325.96645	188.3

Literature stripe

literature stripe

Patent stripe

patents stripe