CID 99121453

Benzyl benzylperoxycarbonyl carbonate

Structural Information

Molecular Formula

C₁₆H₁₄O₆

SMILES

C1=CC=C(C=C1)COC(=O)OC(=O)OOCC2=CC=CC=C2

InChI

InChI=1S/C16H14O6/c17-15(19-11-13-7-3-1-4-8-13)21-16(18)22-20-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

QEJPDHBZQZVCEM-UHFFFAOYSA-N

Compound name

benzyl benzylperoxycarbonyl carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.07904 Da
Monoisotopic Mass: 3.7
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]+	303.086316	166.8
[M+Na]+	325.068258	172.1
[M-H]-	301.071764	173.0
[M+NH4]+	320.112863	180.8
[M+K]+	341.042198	171.3
[M+H-H2O]+	285.076300	158.1
[M+HCOO]-	347.077241	190.1
[M+CH3COO]-	361.092891	197.8
[M+Na-2H]-	323.053706	171.5
[M]+	302.07849142	172.0
[M]-	302.07958858	172.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.