CID 726096

23711-34-4

Structural Information

Molecular Formula
C14H10ClN3S
SMILES
C1=CC=C(C=C1)N2C(=NNC2=S)C3=CC=CC=C3Cl
InChI
InChI=1S/C14H10ClN3S/c15-12-9-5-4-8-11(12)13-16-17-14(19)18(13)10-6-2-1-3-7-10/h1-9H,(H,17,19)
InChIKey
DXGQKQYLXHGLRJ-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-4-phenyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

287.02838 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03566 162.5
[M+Na]+ 310.01760 179.7
[M+NH4]+ 305.06220 171.5
[M+K]+ 325.99154 170.3
[M-H]- 286.02110 167.6
[M+Na-2H]- 308.00305 172.7
[M]+ 287.02783 167.3
[M]- 287.02893 167.3
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

patents stripe