CID 23274144

34380-54-6

Structural Information

Molecular Formula
C8H7FO5S
SMILES
C1=CC(=CC=C1OCC(=O)O)S(=O)(=O)F
InChI
InChI=1S/C8H7FO5S/c9-15(12,13)7-3-1-6(2-4-7)14-5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
OAHYDXIOUOXLML-UHFFFAOYSA-N
Compound name
2-(4-fluorosulfonylphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.99982 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00710 147.0
[M+Na]+ 256.98904 156.2
[M+NH4]+ 252.03364 152.3
[M+K]+ 272.96298 151.3
[M-H]- 232.99254 144.3
[M+Na-2H]- 254.97449 150.3
[M]+ 233.99927 147.6
[M]- 234.00037 147.6
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.