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

21
Patents

177.96669 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.97397 124.5
[M+Na]+ 200.95591 134.1
[M-H]- 176.95941 123.0
[M+NH4]+ 196.00051 145.9
[M+K]+ 216.92985 131.3
[M+H-H2O]+ 160.96395 119.9
[M+HCOO]- 222.96489 135.6
[M+CH3COO]- 236.98054 174.7
[M+Na-2H]- 198.94136 127.8
[M]+ 177.96614 126.5
[M]- 177.96724 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