CID 84656710

2,2-difluoropropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H5ClF2O2S
SMILES
CC(CS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C3H5ClF2O2S/c1-3(5,6)2-9(4,7)8/h2H2,1H3
InChIKey
MUHVCEAOLHMMMB-UHFFFAOYSA-N
Compound name
2,2-difluoropropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

177.96669 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.973966 125.5
[M+Na]+ 200.955908 135.7
[M-H]- 176.959414 124.3
[M+NH4]+ 196.000513 147.0
[M+K]+ 216.929848 132.9
[M+H-H2O]+ 160.963950 121.2
[M+HCOO]- 222.964891 136.1
[M+CH3COO]- 236.980541 174.3
[M+Na-2H]- 198.941356 130.6
[M]+ 177.96614142 127.4
[M]- 177.96723858 127.4
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