CID 121637

P-anisyl-p-benzoquinone

Structural Information

Molecular Formula

C₁₃H₁₀O₃

SMILES

COC1=CC=C(C=C1)C2=CC(=O)C=CC2=O

InChI

InChI=1S/C13H10O3/c1-16-11-5-2-9(3-6-11)12-8-10(14)4-7-13(12)15/h2-8H,1H3

InChIKey

LMZUGHSRDZORTH-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)cyclohexa-2,5-diene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 114
Patents: 214.06299 Da
Monoisotopic Mass: 1.6
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]+	215.070266	142.5
[M+Na]+	237.052208	151.9
[M-H]-	213.055714	150.0
[M+NH4]+	232.096813	161.4
[M+K]+	253.026148	149.0
[M+H-H2O]+	197.060250	135.7
[M+HCOO]-	259.061191	167.0
[M+CH3COO]-	273.076841	187.3
[M+Na-2H]-	235.037656	148.2
[M]+	214.06244142	144.0
[M]-	214.06353858	144.0

Literature stripe

literature stripe

Patent stripe

patents stripe