CID 334101

2-biphenylacetonitrile

Structural Information

Molecular Formula

C₁₄H₁₁N

SMILES

C1=CC=C(C=C1)C2=CC=CC=C2CC#N

InChI

InChI=1S/C14H11N/c15-11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9H,10H2

InChIKey

WVYPDPJNPRIPPW-UHFFFAOYSA-N

Compound name

2-(2-phenylphenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 148
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	146.5
[M+Na]+	216.07836	161.6
[M+NH4]+	211.12296	153.0
[M+K]+	232.05230	149.5
[M-H]-	192.08186	144.6
[M+Na-2H]-	214.06381	154.4
[M]+	193.08859	147.6
[M]-	193.08969	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe