CID 819808

8-chloro-4-cinnolinethiol

Structural Information

Molecular Formula
C8H5ClN2S
SMILES
C1=CC2=C(C(=C1)Cl)NN=CC2=S
InChI
InChI=1S/C8H5ClN2S/c9-6-3-1-2-5-7(12)4-10-11-8(5)6/h1-4H,(H,11,12)
InChIKey
AQXDOQXHWJPTQG-UHFFFAOYSA-N
Compound name
8-chloro-1H-cinnoline-4-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.98619 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.99347 133.0
[M+Na]+ 218.97541 145.2
[M-H]- 194.97891 134.4
[M+NH4]+ 214.02001 152.2
[M+K]+ 234.94935 138.6
[M+H-H2O]+ 178.98345 127.8
[M+HCOO]- 240.98439 144.2
[M+CH3COO]- 255.00004 146.3
[M+Na-2H]- 216.96086 139.6
[M]+ 195.98564 134.8
[M]- 195.98674 134.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.