CID 77002

Dibenzyl carbonate

Structural Information

Molecular Formula

C₁₅H₁₄O₃

SMILES

C1=CC=C(C=C1)COC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H14O3/c16-15(17-11-13-7-3-1-4-8-13)18-12-14-9-5-2-6-10-14/h1-10H,11-12H2

InChIKey

PIZLBWGMERQCOC-UHFFFAOYSA-N

Compound name

dibenzyl carbonate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 7
References: 10365
Patents: 242.0943 Da
Monoisotopic Mass: 3.5
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]+	243.101576	154.2
[M+Na]+	265.083518	160.4
[M-H]-	241.087024	160.5
[M+NH4]+	260.128123	171.1
[M+K]+	281.057458	157.8
[M+H-H2O]+	225.091560	146.3
[M+HCOO]-	287.092501	178.1
[M+CH3COO]-	301.108151	189.8
[M+Na-2H]-	263.068966	160.5
[M]+	242.09375142	156.3
[M]-	242.09484858	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe