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: 2591
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	157.4
[M+Na]+	261.06345	166.2
[M-H]-	237.06695	163.5
[M+NH4]+	256.10805	172.8
[M+K]+	277.03739	161.8
[M+H-H2O]+	221.07149	142.7
[M+HCOO]-	283.07243	179.7
[M+CH3COO]-	297.08808	203.8
[M+Na-2H]-	259.04890	163.7
[M]+	238.07368	153.3
[M]-	238.07478	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe