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]+ 178.97397 123.8
[M+Na]+ 200.95591 133.1
[M-H]- 176.95941 122.4
[M+NH4]+ 196.00051 145.1
[M+K]+ 216.92985 130.8
[M+H-H2O]+ 160.96395 119.3
[M+HCOO]- 222.96489 133.9
[M+CH3COO]- 236.98054 175.6
[M+Na-2H]- 198.94136 126.0
[M]+ 177.96614 125.2
[M]- 177.96724 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.