CID 55263295

2-fluoropropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C3H6ClFO2S
SMILES
CC(CS(=O)(=O)Cl)F
InChI
InChI=1S/C3H6ClFO2S/c1-3(5)2-8(4,6)7/h3H,2H2,1H3
InChIKey
XSPTVLLUSZGIRW-UHFFFAOYSA-N
Compound name
2-fluoropropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

159.9761 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.98338 122.9
[M+Na]+ 182.96532 132.6
[M-H]- 158.96882 122.9
[M+NH4]+ 178.00992 145.2
[M+K]+ 198.93926 130.2
[M+H-H2O]+ 142.97336 119.3
[M+HCOO]- 204.97430 135.0
[M+CH3COO]- 218.98995 172.0
[M+Na-2H]- 180.95077 126.6
[M]+ 159.97555 126.0
[M]- 159.97665 126.0
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