CID 357763

Peroxydicarbonic acid, bis(phenylmethyl) ester

Structural Information

Molecular Formula

C₁₆H₁₄O₆

SMILES

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

InChI

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

InChIKey

IAWYWVVBKGWUEP-UHFFFAOYSA-N

Compound name

benzyl phenylmethoxycarbonyloxy carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 823
Patents: 302.07904 Da
Monoisotopic Mass: 4.0
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]+	303.08632	167.3
[M+Na]+	325.06826	179.4
[M+NH4]+	320.11286	173.4
[M+K]+	341.04220	173.8
[M-H]-	301.07176	169.4
[M+Na-2H]-	323.05371	174.9
[M]+	302.07849	169.4
[M]-	302.07959	169.4

Literature stripe

literature stripe

Patent stripe

patents stripe