CID 701139

2-(4-fluoro-2-methylbenzenesulfonamido)benzoic acid

Structural Information

Molecular Formula
C14H12FNO4S
SMILES
CC1=C(C=CC(=C1)F)S(=O)(=O)NC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H12FNO4S/c1-9-8-10(15)6-7-13(9)21(19,20)16-12-5-3-2-4-11(12)14(17)18/h2-8,16H,1H3,(H,17,18)
InChIKey
MFUIVWQODKKIPL-UHFFFAOYSA-N
Compound name
2-[(4-fluoro-2-methylphenyl)sulfonylamino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.04712 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.05440 167.1
[M+Na]+ 332.03634 178.0
[M+NH4]+ 327.08094 172.8
[M+K]+ 348.01028 171.6
[M-H]- 308.03984 168.0
[M+Na-2H]- 330.02179 173.2
[M]+ 309.04657 169.2
[M]- 309.04767 169.2
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.