CID 134692231

2197167-50-1

Structural Information

Molecular Formula

C₁₂H₄Cl₂N₂O

SMILES

C1C(=C(C#N)C#N)C2=CC(=C(C=C2C1=O)Cl)Cl

InChI

InChI=1S/C12H4Cl2N2O/c13-10-1-8-7(6(4-15)5-16)3-12(17)9(8)2-11(10)14/h1-2H,3H2

InChIKey

GSESGZDMIABVRC-UHFFFAOYSA-N

Compound name

2-(5,6-dichloro-3-oxoinden-1-ylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 103
Patents: 261.97006 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]+	262.97734	169.2
[M+Na]+	284.95928	183.1
[M-H]-	260.96278	173.2
[M+NH4]+	280.00388	183.5
[M+K]+	300.93322	173.6
[M+H-H2O]+	244.96732	156.3
[M+HCOO]-	306.96826	175.1
[M+CH3COO]-	320.98391	222.1
[M+Na-2H]-	282.94473	168.4
[M]+	261.96951	163.2
[M]-	261.97061	163.2

Literature stripe

literature stripe

Patent stripe

patents stripe