CID 11229634

Benzyl peroxide

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

C1=CC=C(C=C1)COOCC2=CC=CC=C2

InChI

InChI=1S/C14H14O2/c1-3-7-13(8-4-1)11-15-16-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

KQNZLOUWXSAZGD-UHFFFAOYSA-N

Compound name

benzylperoxymethylbenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 9648
Patents: 214.09938 Da
Monoisotopic Mass: 3.4
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]+	215.10666	146.5
[M+Na]+	237.08860	153.1
[M-H]-	213.09210	152.8
[M+NH4]+	232.13320	164.6
[M+K]+	253.06254	150.3
[M+H-H2O]+	197.09664	138.9
[M+HCOO]-	259.09758	171.4
[M+CH3COO]-	273.11323	186.2
[M+Na-2H]-	235.07405	154.6
[M]+	214.09883	148.4
[M]-	214.09993	148.4

Literature stripe

literature stripe

Patent stripe

patents stripe