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]+ 171.012186 128.5
[M+Na]+ 192.994128 136.3
[M-H]- 168.997634 126.6
[M+NH4]+ 188.038733 148.3
[M+K]+ 208.968068 135.4
[M+H-H2O]+ 153.002170 123.5
[M+HCOO]- 215.003111 142.8
[M+CH3COO]- 229.018761 172.4
[M+Na-2H]- 190.979576 130.6
[M]+ 170.00436142 129.9
[M]- 170.00545858 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.