CID 7167

Benzoic anhydride

Structural Information

Molecular Formula

C₁₄H₁₀O₃

SMILES

C1=CC=C(C=C1)C(=O)OC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H10O3/c15-13(11-7-3-1-4-8-11)17-14(16)12-9-5-2-6-10-12/h1-10H

InChIKey

CHIHQLCVLOXUJW-UHFFFAOYSA-N

Compound name

benzoyl benzoate

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 40
References: 32618
Patents: 226.06299 Da
Monoisotopic Mass: 3.2
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]+	227.07027	148.3
[M+Na]+	249.05221	155.0
[M-H]-	225.05571	155.0
[M+NH4]+	244.09681	165.7
[M+K]+	265.02615	152.6
[M+H-H2O]+	209.06025	140.9
[M+HCOO]-	271.06119	171.8
[M+CH3COO]-	285.07684	186.9
[M+Na-2H]-	247.03766	154.0
[M]+	226.06244	148.9
[M]-	226.06354	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe