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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.08738 159.3
[M+Na]+ 296.06932 166.5
[M-H]- 272.07282 165.0
[M+NH4]+ 291.11392 174.9
[M+K]+ 312.04326 163.4
[M+H-H2O]+ 256.07736 150.6
[M+HCOO]- 318.07830 182.4
[M+CH3COO]- 332.09395 199.8
[M+Na-2H]- 294.05477 162.8
[M]+ 273.07955 159.2
[M]- 273.08065 159.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.