CID 310546

Methyl 2-(3-fluorobenzamido)benzoate

Structural Information

Molecular Formula

C₁₅H₁₂FNO₃

SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)F

InChI

InChI=1S/C15H12FNO3/c1-20-15(19)12-7-2-3-8-13(12)17-14(18)10-5-4-6-11(16)9-10/h2-9H,1H3,(H,17,18)

InChIKey

DSCOXMJXTRORLX-UHFFFAOYSA-N

Compound name

methyl 2-[(3-fluorobenzoyl)amino]benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 273.0801 Da
Monoisotopic Mass: 3.4
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	159.3
[M+Na]+	296.069318	166.5
[M-H]-	272.072824	165.0
[M+NH4]+	291.113923	174.9
[M+K]+	312.043258	163.4
[M+H-H2O]+	256.077360	150.6
[M+HCOO]-	318.078301	182.4
[M+CH3COO]-	332.093951	199.8
[M+Na-2H]-	294.054766	162.8
[M]+	273.07955142	159.2
[M]-	273.08064858	159.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.