CID 13005642

Bis(4-cyanophenyl) carbonate

Structural Information

Molecular Formula

C₁₅H₈N₂O₃

SMILES

C1=CC(=CC=C1C#N)OC(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C15H8N2O3/c16-9-11-1-5-13(6-2-11)19-15(18)20-14-7-3-12(10-17)4-8-14/h1-8H

InChIKey

POSZYPCJRYUXEU-UHFFFAOYSA-N

Compound name

bis(4-cyanophenyl) carbonate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 92
Patents: 264.0535 Da
Monoisotopic Mass: 2.7
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]+	265.06078	181.7
[M+Na]+	287.04272	191.4
[M+NH4]+	282.08732	182.0
[M+K]+	303.01666	180.3
[M-H]-	263.04622	172.8
[M+Na-2H]-	285.02817	182.2
[M]+	264.05295	179.3
[M]-	264.05405	179.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe