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]+ 267.97646 152.8
[M+Na]+ 289.95840 168.7
[M-H]- 265.96190 157.7
[M+NH4]+ 285.00300 172.3
[M+K]+ 305.93234 161.1
[M+H-H2O]+ 249.96644 148.3
[M+HCOO]- 311.96738 161.8
[M+CH3COO]- 325.98303 166.4
[M+Na-2H]- 287.94385 152.7
[M]+ 266.96863 158.4
[M]- 266.96973 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.