CID 167722623

3-(fluorosulfonyl)-2-methylpropanoic acid

Structural Information

Molecular Formula
C4H7FO4S
SMILES
CC(CS(=O)(=O)F)C(=O)O
InChI
InChI=1S/C4H7FO4S/c1-3(4(6)7)2-10(5,8)9/h3H,2H2,1H3,(H,6,7)
InChIKey
DLDCFSMURQVMHX-UHFFFAOYSA-N
Compound name
3-fluorosulfonyl-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.00491 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.01219 128.5
[M+Na]+ 192.99413 136.3
[M-H]- 168.99763 126.6
[M+NH4]+ 188.03873 148.3
[M+K]+ 208.96807 135.4
[M+H-H2O]+ 153.00217 123.5
[M+HCOO]- 215.00311 142.8
[M+CH3COO]- 229.01876 172.4
[M+Na-2H]- 190.97958 130.6
[M]+ 170.00436 129.9
[M]- 170.00546 129.9
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.