CID 158271882

2-(4-((fluorosulfonyl)oxy)phenyl)acetic acid

Structural Information

Molecular Formula
C8H7FO5S
SMILES
C1=CC(=CC=C1CC(=O)O)OS(=O)(=O)F
InChI
InChI=1S/C8H7FO5S/c9-15(12,13)14-7-3-1-6(2-4-7)5-8(10)11/h1-4H,5H2,(H,10,11)
InChIKey
VKKAZKNXJDBINW-UHFFFAOYSA-N
Compound name
2-(4-fluorosulfonyloxyphenyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

233.99982 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.00710 142.9
[M+Na]+ 256.98904 151.6
[M-H]- 232.99254 144.4
[M+NH4]+ 252.03364 160.3
[M+K]+ 272.96298 149.2
[M+H-H2O]+ 216.99708 136.6
[M+HCOO]- 278.99802 159.0
[M+CH3COO]- 293.01367 182.3
[M+Na-2H]- 254.97449 146.7
[M]+ 233.99927 146.0
[M]- 234.00037 146.0
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

patents stripe