CID 25226

Diphenylmethylenemalononitrile

Structural Information

Molecular Formula

C₁₆H₁₀N₂

SMILES

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

InChI

InChI=1S/C16H10N2/c17-11-15(12-18)16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H

InChIKey

KOQMBAGMXLUQDS-UHFFFAOYSA-N

Compound name

2-benzhydrylidenepropanedinitrile

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 2592
Patents: 230.0844 Da
Monoisotopic Mass: 3.5
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]+	231.09168	172.1
[M+Na]+	253.07362	181.4
[M-H]-	229.07712	176.0
[M+NH4]+	248.11822	183.1
[M+K]+	269.04756	174.0
[M+H-H2O]+	213.08166	155.8
[M+HCOO]-	275.08260	183.3
[M+CH3COO]-	289.09825	178.3
[M+Na-2H]-	251.05907	172.7
[M]+	230.08385	162.0
[M]-	230.08495	162.0

Literature stripe

literature stripe

Patent stripe

patents stripe