CID 118769

Bis(o-tolyl) peroxide

Structural Information

Molecular Formula

C₁₄H₁₄O₂

SMILES

CC1=CC=CC=C1OOC2=CC=CC=C2C

InChI

InChI=1S/C14H14O2/c1-11-7-3-5-9-13(11)15-16-14-10-6-4-8-12(14)2/h3-10H,1-2H3

InChIKey

FFHGJCBXRQUCED-UHFFFAOYSA-N

Compound name

1-methyl-2-(2-methylphenyl)peroxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 936
Patents: 214.09938 Da
Monoisotopic Mass: 4.5
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]+	215.106656	145.8
[M+Na]+	237.088598	154.3
[M-H]-	213.092104	153.0
[M+NH4]+	232.133203	164.6
[M+K]+	253.062538	151.6
[M+H-H2O]+	197.096640	138.6
[M+HCOO]-	259.097581	170.7
[M+CH3COO]-	273.113231	188.4
[M+Na-2H]-	235.074046	152.5
[M]+	214.09883142	148.5
[M]-	214.09992858	148.5

Literature stripe

literature stripe

Patent stripe

patents stripe