CID 165693690

2-chloro-2-fluoroethylmethanesulfonate

Structural Information

Molecular Formula
C3H6ClFO3S
SMILES
CS(=O)(=O)OCC(F)Cl
InChI
InChI=1S/C3H6ClFO3S/c1-9(6,7)8-2-3(4)5/h3H,2H2,1H3
InChIKey
HLHAXYFPWXQRAB-UHFFFAOYSA-N
Compound name
(2-chloro-2-fluoroethyl) methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.97102 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.97830 125.9
[M+Na]+ 198.96024 135.4
[M-H]- 174.96374 125.9
[M+NH4]+ 194.00484 147.5
[M+K]+ 214.93418 133.5
[M+H-H2O]+ 158.96828 122.1
[M+HCOO]- 220.96922 138.3
[M+CH3COO]- 234.98487 174.0
[M+Na-2H]- 196.94569 129.8
[M]+ 175.97047 130.5
[M]- 175.97157 130.5
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

No patent data available for this compound.