CID 1800393

2-quinolinethiol

Structural Information

Molecular Formula
C9H7NS
SMILES
C1=CC=C2C(=C1)C=CC(=S)N2
InChI
InChI=1S/C9H7NS/c11-9-6-5-7-3-1-2-4-8(7)10-9/h1-6H,(H,10,11)
InChIKey
KXZSVYHFYHTNBI-UHFFFAOYSA-N
Compound name
1H-quinoline-2-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

3301
Patents

161.02992 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.03720 127.3
[M+Na]+ 184.01914 137.6
[M-H]- 160.02264 129.8
[M+NH4]+ 179.06374 148.1
[M+K]+ 199.99308 132.4
[M+H-H2O]+ 144.02718 121.9
[M+HCOO]- 206.02812 144.2
[M+CH3COO]- 220.04377 141.1
[M+Na-2H]- 182.00459 134.7
[M]+ 161.02937 126.8
[M]- 161.03047 126.8
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