CID 84664403

3,3-difluorobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H7ClF2O2S
SMILES
CC(CCS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C4H7ClF2O2S/c1-4(6,7)2-3-10(5,8)9/h2-3H2,1H3
InChIKey
XMDQSHBKYXDIOI-UHFFFAOYSA-N
Compound name
3,3-difluorobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

191.98233 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.98961 130.1
[M+Na]+ 214.97155 139.9
[M-H]- 190.97505 128.7
[M+NH4]+ 210.01615 151.1
[M+K]+ 230.94549 136.8
[M+H-H2O]+ 174.97959 125.6
[M+HCOO]- 236.98053 140.4
[M+CH3COO]- 250.99618 177.3
[M+Na-2H]- 212.95700 134.7
[M]+ 191.98178 132.4
[M]- 191.98288 132.4
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

patents stripe