CID 688090

Diphenyl n-cyanocarbonimidate

Structural Information

Molecular Formula

C₁₄H₁₀N₂O₂

SMILES

C1=CC=C(C=C1)OC(=NC#N)OC2=CC=CC=C2

InChI

InChI=1S/C14H10N2O2/c15-11-16-14(17-12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-10H

InChIKey

SLIKWVTWIGHFJE-UHFFFAOYSA-N

Compound name

diphenoxymethylidenecyanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2556
Patents: 238.07423 Da
Monoisotopic Mass: 3.6
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]+	239.08151	158.7
[M+Na]+	261.06345	171.6
[M+NH4]+	256.10805	163.6
[M+K]+	277.03739	160.7
[M-H]-	237.06695	156.0
[M+Na-2H]-	259.04890	165.4
[M]+	238.07368	158.9
[M]-	238.07478	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe