CID 55263296

3,3-difluoropropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H5ClF2O2S
SMILES
C(CS(=O)(=O)Cl)C(F)F
InChI
InChI=1S/C3H5ClF2O2S/c4-9(7,8)2-1-3(5)6/h3H,1-2H2
InChIKey
YOACIDRNEANCHK-UHFFFAOYSA-N
Compound name
3,3-difluoropropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

177.96669 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.973966 124.5
[M+Na]+ 200.955908 134.1
[M-H]- 176.959414 123.0
[M+NH4]+ 196.000513 145.9
[M+K]+ 216.929848 131.3
[M+H-H2O]+ 160.963950 119.9
[M+HCOO]- 222.964891 135.6
[M+CH3COO]- 236.980541 174.7
[M+Na-2H]- 198.941356 127.8
[M]+ 177.96614142 126.5
[M]- 177.96723858 126.5
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