CID 79678

2,2-diphenylbutyronitrile

Structural Information

Molecular Formula

C₁₆H₁₅N

SMILES

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

InChI

InChI=1S/C16H15N/c1-2-16(13-17,14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12H,2H2,1H3

InChIKey

NQCFFHSZJWFYEU-UHFFFAOYSA-N

Compound name

2,2-diphenylbutanenitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 44
Patents: 221.12045 Da
Monoisotopic Mass: 4.0
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]+	222.12773	156.3
[M+Na]+	244.10967	170.4
[M+NH4]+	239.15427	162.3
[M+K]+	260.08361	158.7
[M-H]-	220.11317	153.8
[M+Na-2H]-	242.09512	163.8
[M]+	221.11990	157.1
[M]-	221.12100	157.1

Literature stripe

literature stripe

Patent stripe

patents stripe