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]+ 356.05986 174.9
[M+Na]+ 378.04180 182.9
[M-H]- 354.04530 179.6
[M+NH4]+ 373.08640 187.0
[M+K]+ 394.01574 179.4
[M+H-H2O]+ 338.04984 166.3
[M+HCOO]- 400.05078 191.1
[M+CH3COO]- 414.06643 210.5
[M+Na-2H]- 376.02725 176.9
[M]+ 355.05203 179.6
[M]- 355.05313 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.