CID 122163554

1,1-difluoropropane-2-sulfonyl chloride

Structural Information

Molecular Formula
C3H5ClF2O2S
SMILES
CC(C(F)F)S(=O)(=O)Cl
InChI
InChI=1S/C3H5ClF2O2S/c1-2(3(5)6)9(4,7)8/h2-3H,1H3
InChIKey
FZWOMFOPWKSZJE-UHFFFAOYSA-N
Compound name
1,1-difluoropropane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.96669 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.973966 123.8
[M+Na]+ 200.955908 133.1
[M-H]- 176.959414 122.4
[M+NH4]+ 196.000513 145.1
[M+K]+ 216.929848 130.8
[M+H-H2O]+ 160.963950 119.3
[M+HCOO]- 222.964891 133.9
[M+CH3COO]- 236.980541 175.6
[M+Na-2H]- 198.941356 126.0
[M]+ 177.96614142 125.2
[M]- 177.96723858 125.2
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.