CID 137949872

3,3,4,4-tetrafluorobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H5ClF4O2S
SMILES
C(CS(=O)(=O)Cl)C(C(F)F)(F)F
InChI
InChI=1S/C4H5ClF4O2S/c5-12(10,11)2-1-4(8,9)3(6)7/h3H,1-2H2
InChIKey
OJONOGCEDDHBFT-UHFFFAOYSA-N
Compound name
3,3,4,4-tetrafluorobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.96349 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.97077 132.7
[M+Na]+ 250.95271 142.2
[M-H]- 226.95621 128.5
[M+NH4]+ 245.99731 151.9
[M+K]+ 266.92665 138.7
[M+H-H2O]+ 210.96075 126.3
[M+HCOO]- 272.96169 139.9
[M+CH3COO]- 286.97734 183.8
[M+Na-2H]- 248.93816 135.3
[M]+ 227.96294 132.0
[M]- 227.96404 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.