CID 4329248

Phenanthridine-6-thiol

Structural Information

Molecular Formula
C13H9NS
SMILES
C1=CC=C2C(=C1)C3=CC=CC=C3NC2=S
InChI
InChI=1S/C13H9NS/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
InChIKey
NCIDEKDUBRWLJO-UHFFFAOYSA-N
Compound name
5H-phenanthridine-6-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

5
Patents

211.04558 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.052856 139.2
[M+Na]+ 234.034798 151.2
[M-H]- 210.038304 142.9
[M+NH4]+ 229.079403 159.2
[M+K]+ 250.008738 144.1
[M+H-H2O]+ 194.042840 133.2
[M+HCOO]- 256.043781 156.1
[M+CH3COO]- 270.059431 152.8
[M+Na-2H]- 232.020246 148.2
[M]+ 211.04503142 140.8
[M]- 211.04612858 140.8
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