CID 102932831

Ethyl 3-(chlorosulfonyl)-2,2-difluoropropanoate

Structural Information

Molecular Formula
C5H7ClF2O4S
SMILES
CCOC(=O)C(CS(=O)(=O)Cl)(F)F
InChI
InChI=1S/C5H7ClF2O4S/c1-2-12-4(9)5(7,8)3-13(6,10)11/h2-3H2,1H3
InChIKey
WROOWPCYTDXQPT-UHFFFAOYSA-N
Compound name
ethyl 3-chlorosulfonyl-2,2-difluoropropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.97217 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.979446 138.6
[M+Na]+ 258.961388 147.8
[M-H]- 234.964894 137.1
[M+NH4]+ 254.005993 157.6
[M+K]+ 274.935328 145.2
[M+H-H2O]+ 218.969430 133.9
[M+HCOO]- 280.970371 148.3
[M+CH3COO]- 294.986021 183.4
[M+Na-2H]- 256.946836 142.3
[M]+ 235.97162142 142.9
[M]- 235.97271858 142.9
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.