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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	274.087376	159.0
[M+Na]+	296.069318	166.6
[M-H]-	272.072824	163.7
[M+NH4]+	291.113923	174.2
[M+K]+	312.043258	162.8
[M+H-H2O]+	256.077360	150.8
[M+HCOO]-	318.078301	180.6
[M+CH3COO]-	332.093951	199.3
[M+Na-2H]-	294.054766	161.3
[M]+	273.07955142	157.6
[M]-	273.08064858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.