CID 6837

Diphenylacetonitrile

Structural Information

Molecular Formula

C₁₄H₁₁N

SMILES

C1=CC=C(C=C1)C(C#N)C2=CC=CC=C2

InChI

InChI=1S/C14H11N/c15-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10,14H

InChIKey

NEBPTMCRLHKPOB-UHFFFAOYSA-N

Compound name

2,2-diphenylacetonitrile

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 1887
Patents: 193.08914 Da
Monoisotopic Mass: 3.2
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]+	194.09642	147.7
[M+Na]+	216.07836	156.9
[M-H]-	192.08186	152.8
[M+NH4]+	211.12296	164.6
[M+K]+	232.05230	150.9
[M+H-H2O]+	176.08640	134.2
[M+HCOO]-	238.08734	167.3
[M+CH3COO]-	252.10299	159.0
[M+Na-2H]-	214.06381	153.6
[M]+	193.08859	141.0
[M]-	193.08969	141.0

Literature stripe

literature stripe

Patent stripe

patents stripe