CID 285225

Methyl benzoylsalicylate

Structural Information

Molecular Formula

C₁₅H₁₂O₄

SMILES

COC(=O)C1=CC=CC=C1OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H12O4/c1-18-15(17)12-9-5-6-10-13(12)19-14(16)11-7-3-2-4-8-11/h2-10H,1H3

InChIKey

VFRPYBIGSSNAJS-UHFFFAOYSA-N

Compound name

methyl 2-benzoyloxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 78
Patents: 256.07355 Da
Monoisotopic Mass: 3.1
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]+	257.08083	156.0
[M+Na]+	279.06277	169.7
[M+NH4]+	274.10737	163.5
[M+K]+	295.03671	163.5
[M-H]-	255.06627	159.3
[M+Na-2H]-	277.04822	164.6
[M]+	256.07300	158.8
[M]-	256.07410	158.8

Literature stripe

literature stripe

Patent stripe

patents stripe