CID 12465434

69513-35-5

Structural Information

Molecular Formula

C₁₀H₆N₂S

SMILES

C1=CC=C2C(=C1)C=C(C(=S)N2)C#N

InChI

InChI=1S/C10H6N2S/c11-6-8-5-7-3-1-2-4-9(7)12-10(8)13/h1-5H,(H,12,13)

InChIKey

CXIOYVWULPNAOH-UHFFFAOYSA-N

Compound name

2-sulfanylidene-1H-quinoline-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 186.02516 Da
Monoisotopic Mass: 1.9
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]+	187.03244	136.5
[M+Na]+	209.01438	150.5
[M+NH4]+	204.05898	142.7
[M+K]+	224.98832	138.3
[M-H]-	185.01788	132.1
[M+Na-2H]-	206.99983	141.3
[M]+	186.02461	136.9
[M]-	186.02571	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe