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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.03244 142.7
[M+Na]+ 209.01438 155.5
[M-H]- 185.01788 145.1
[M+NH4]+ 204.05898 160.7
[M+K]+ 224.98832 148.8
[M+H-H2O]+ 169.02242 130.7
[M+HCOO]- 231.02336 155.9
[M+CH3COO]- 245.03901 154.4
[M+Na-2H]- 206.99983 147.9
[M]+ 186.02461 137.8
[M]- 186.02571 137.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe