CID 4738267

610276-80-7

Structural Information

Molecular Formula
C10H6ClN3S2
SMILES
C1=CC(=CC=C1C2=CSC3=NNC(=S)N23)Cl
InChI
InChI=1S/C10H6ClN3S2/c11-7-3-1-6(2-4-7)8-5-16-10-13-12-9(15)14(8)10/h1-5H,(H,12,15)
InChIKey
QSDOIJACNQRZKE-UHFFFAOYSA-N
Compound name
5-(4-chlorophenyl)-2H-[1,3]thiazolo[2,3-c][1,2,4]triazole-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.96918 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.976456 152.8
[M+Na]+ 289.958398 168.7
[M-H]- 265.961904 157.7
[M+NH4]+ 285.003003 172.3
[M+K]+ 305.932338 161.1
[M+H-H2O]+ 249.966440 148.3
[M+HCOO]- 311.967381 161.8
[M+CH3COO]- 325.983031 166.4
[M+Na-2H]- 287.943846 152.7
[M]+ 266.96863142 158.4
[M]- 266.96972858 158.4
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.