CID 69928

4-methoxybenzoic anhydride

Structural Information

Molecular Formula

C₁₆H₁₄O₅

SMILES

COC1=CC=C(C=C1)C(=O)OC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C16H14O5/c1-19-13-7-3-11(4-8-13)15(17)21-16(18)12-5-9-14(20-2)10-6-12/h3-10H,1-2H3

InChIKey

YGMHIBLUWGDWKP-UHFFFAOYSA-N

Compound name

(4-methoxybenzoyl) 4-methoxybenzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 3
References: 744
Patents: 286.08414 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]+	287.09142	163.0
[M+Na]+	309.07336	176.3
[M+NH4]+	304.11796	169.7
[M+K]+	325.04730	170.7
[M-H]-	285.07686	165.8
[M+Na-2H]-	307.05881	170.7
[M]+	286.08359	165.6
[M]-	286.08469	165.6

Literature stripe

literature stripe

Patent stripe

patents stripe