CID 51559

2,2-diphenylethylidenemalononitrile

Structural Information

Molecular Formula

C₁₇H₁₂N₂

SMILES

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

InChI

InChI=1S/C17H12N2/c18-12-14(13-19)11-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-11,17H

InChIKey

AJWQSBAALRXGHX-UHFFFAOYSA-N

Compound name

2-(2,2-diphenylethylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 244.10005 Da
Monoisotopic Mass: 3.7
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]+	245.107326	174.8
[M+Na]+	267.089268	183.8
[M-H]-	243.092774	178.6
[M+NH4]+	262.133873	185.4
[M+K]+	283.063208	176.2
[M+H-H2O]+	227.097310	158.3
[M+HCOO]-	289.098251	185.7
[M+CH3COO]-	303.113901	222.1
[M+Na-2H]-	265.074716	175.0
[M]+	244.09950142	164.9
[M]-	244.10059858	164.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe