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

5
Patents

233.99982 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.007096 142.9
[M+Na]+ 256.989038 151.6
[M-H]- 232.992544 144.4
[M+NH4]+ 252.033643 160.3
[M+K]+ 272.962978 149.2
[M+H-H2O]+ 216.997080 136.6
[M+HCOO]- 278.998021 159.0
[M+CH3COO]- 293.013671 182.3
[M+Na-2H]- 254.974486 146.7
[M]+ 233.99927142 146.0
[M]- 234.00036858 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