CID 698884

5-(3-chlorophenyl)-4-ethyl-4h-1,2,4-triazole-3-thiol

Structural Information

Molecular Formula
C10H10ClN3S
SMILES
CCN1C(=NNC1=S)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C10H10ClN3S/c1-2-14-9(12-13-10(14)15)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3,(H,13,15)
InChIKey
UDTJJANDABWLAI-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

40
Patents

239.0284 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03568 151.2
[M+Na]+ 262.01762 166.2
[M+NH4]+ 257.06222 159.6
[M+K]+ 277.99156 158.1
[M-H]- 238.02112 153.6
[M+Na-2H]- 260.00307 158.1
[M]+ 239.02785 154.8
[M]- 239.02895 154.8
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.