CID 274352

3,3-diphenylacrylonitrile

Structural Information

Molecular Formula

C₁₅H₁₁N

SMILES

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

InChI

InChI=1S/C15H11N/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-11H

InChIKey

RDGWQFSLTSPRBG-UHFFFAOYSA-N

Compound name

3,3-diphenylprop-2-enenitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1165
Patents: 205.08914 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]+	206.096416	152.2
[M+Na]+	228.078358	161.4
[M-H]-	204.081864	157.2
[M+NH4]+	223.122963	168.7
[M+K]+	244.052298	154.6
[M+H-H2O]+	188.086400	138.6
[M+HCOO]-	250.087341	171.7
[M+CH3COO]-	264.102991	163.1
[M+Na-2H]-	226.063806	157.5
[M]+	205.08859142	145.1
[M]-	205.08968858	145.1

Literature stripe

literature stripe

Patent stripe

patents stripe