CID 35856

4-biphenylacetonitrile

Structural Information

Molecular Formula

C₁₄H₁₁N

SMILES

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

InChI

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

InChIKey

HSZCNGTZJWZAMF-UHFFFAOYSA-N

Compound name

2-(4-phenylphenyl)acetonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 273
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]+	194.096416	146.1
[M+Na]+	216.078358	156.4
[M-H]-	192.081864	151.5
[M+NH4]+	211.122963	163.4
[M+K]+	232.052298	150.2
[M+H-H2O]+	176.086400	132.8
[M+HCOO]-	238.087341	166.7
[M+CH3COO]-	252.102991	157.9
[M+Na-2H]-	214.063806	152.5
[M]+	193.08859142	140.4
[M]-	193.08968858	140.4

Literature stripe

literature stripe

Patent stripe

patents stripe