CID 2739819

2-(2,2'-bithiophen-5-ylmethylene)malononitrile

Structural Information

Molecular Formula

C₁₂H₆N₂S₂

SMILES

C1=CSC(=C1)C2=CC=C(S2)C=C(C#N)C#N

InChI

InChI=1S/C12H6N2S2/c13-7-9(8-14)6-10-3-4-12(16-10)11-2-1-5-15-11/h1-6H

InChIKey

JULWDNGPIOYHSR-UHFFFAOYSA-N

Compound name

2-[(5-thiophen-2-ylthiophen-2-yl)methylidene]propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 6
Patents: 241.99724 Da
Monoisotopic Mass: 3.1
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]+	243.00452	160.9
[M+Na]+	264.98646	169.3
[M+NH4]+	260.03106	162.8
[M+K]+	280.96040	158.9
[M-H]-	240.98996	152.6
[M+Na-2H]-	262.97191	161.4
[M]+	241.99669	159.2
[M]-	241.99779	159.2

Literature stripe

literature stripe

Patent stripe

patents stripe