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]+ 236.97945 138.6
[M+Na]+ 258.96139 147.8
[M-H]- 234.96489 137.1
[M+NH4]+ 254.00599 157.6
[M+K]+ 274.93533 145.2
[M+H-H2O]+ 218.96943 133.9
[M+HCOO]- 280.97037 148.3
[M+CH3COO]- 294.98602 183.4
[M+Na-2H]- 256.94684 142.3
[M]+ 235.97162 142.9
[M]- 235.97272 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.