CID 268534

89434-49-1

Structural Information

Molecular Formula

C₁₁H₈N₂S

SMILES

C1CC2=C(C=CS2)C(=C(C#N)C#N)C1

InChI

InChI=1S/C11H8N2S/c12-6-8(7-13)9-2-1-3-11-10(9)4-5-14-11/h4-5H,1-3H2

InChIKey

HPWLMNINCQCPAQ-UHFFFAOYSA-N

Compound name

2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 0
Patents: 200.04082 Da
Monoisotopic Mass: 2.0
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]+	201.04810	165.7
[M+Na]+	223.03004	173.4
[M+NH4]+	218.07464	167.5
[M+K]+	239.00398	162.5
[M-H]-	199.03354	156.1
[M+Na-2H]-	221.01549	164.1
[M]+	200.04027	163.1
[M]-	200.04137	163.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.