CID 17604

2698-41-1

Structural Information

Molecular Formula

C₁₀H₅ClN₂

SMILES

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

InChI

InChI=1S/C10H5ClN2/c11-10-4-2-1-3-9(10)5-8(6-12)7-13/h1-5H

InChIKey

JJNZXLAFIPKXIG-UHFFFAOYSA-N

Compound name

2-[(2-chlorophenyl)methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 150
References: 1076
Patents: 188.01413 Da
Monoisotopic Mass: 2.3
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]+	189.02141	163.7
[M+Na]+	211.00335	173.4
[M+NH4]+	206.04795	165.1
[M+K]+	226.97729	162.2
[M-H]-	187.00685	154.3
[M+Na-2H]-	208.98880	164.0
[M]+	188.01358	161.4
[M]-	188.01468	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe