CID 2329743

5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid

Structural Information

Molecular Formula
C15H14FNO6S
SMILES
COC1=CC(=CC(=C1OC)C(=O)O)S(=O)(=O)NC2=CC=CC=C2F
InChI
InChI=1S/C15H14FNO6S/c1-22-13-8-9(7-10(15(18)19)14(13)23-2)24(20,21)17-12-6-4-3-5-11(12)16/h3-8,17H,1-2H3,(H,18,19)
InChIKey
UGWBWWQLGYGIJU-UHFFFAOYSA-N
Compound name
5-[(2-fluorophenyl)sulfamoyl]-2,3-dimethoxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.05258 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.059856 174.9
[M+Na]+ 378.041798 182.9
[M-H]- 354.045304 179.6
[M+NH4]+ 373.086403 187.0
[M+K]+ 394.015738 179.4
[M+H-H2O]+ 338.049840 166.3
[M+HCOO]- 400.050781 191.1
[M+CH3COO]- 414.066431 210.5
[M+Na-2H]- 376.027246 176.9
[M]+ 355.05203142 179.6
[M]- 355.05312858 179.6
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.