CID 2329211

5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoic acid

Structural Information

Molecular Formula
C14H12FNO4S
SMILES
CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)F)C(=O)O
InChI
InChI=1S/C14H12FNO4S/c1-9-2-7-12(8-13(9)14(17)18)21(19,20)16-11-5-3-10(15)4-6-11/h2-8,16H,1H3,(H,17,18)
InChIKey
GAFMFGRKEXNDDQ-UHFFFAOYSA-N
Compound name
5-[(4-fluorophenyl)sulfamoyl]-2-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.04712 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.05440 164.8
[M+Na]+ 332.03634 173.2
[M-H]- 308.03984 169.5
[M+NH4]+ 327.08094 178.9
[M+K]+ 348.01028 168.4
[M+H-H2O]+ 292.04438 156.9
[M+HCOO]- 354.04532 181.1
[M+CH3COO]- 368.06097 201.7
[M+Na-2H]- 330.02179 167.4
[M]+ 309.04657 166.0
[M]- 309.04767 166.0
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

No patent data available for this compound.