CID 16776596

3-(2-fluorobenzamido)-4-methylbenzoic acid

Structural Information

Molecular Formula
C15H12FNO3
SMILES
CC1=C(C=C(C=C1)C(=O)O)NC(=O)C2=CC=CC=C2F
InChI
InChI=1S/C15H12FNO3/c1-9-6-7-10(15(19)20)8-13(9)17-14(18)11-4-2-3-5-12(11)16/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKey
AZUKNYHUSZCLIA-UHFFFAOYSA-N
Compound name
3-[(2-fluorobenzoyl)amino]-4-methylbenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.0801 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08738 159.0
[M+Na]+ 296.06932 166.6
[M-H]- 272.07282 163.7
[M+NH4]+ 291.11392 174.2
[M+K]+ 312.04326 162.8
[M+H-H2O]+ 256.07736 150.8
[M+HCOO]- 318.07830 180.6
[M+CH3COO]- 332.09395 199.3
[M+Na-2H]- 294.05477 161.3
[M]+ 273.07955 157.6
[M]- 273.08065 157.6
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.