CID 779634

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

Structural Information

Molecular Formula
C10H9Cl2N3S
SMILES
CCN1C(=NNC1=S)C2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H9Cl2N3S/c1-2-15-9(13-14-10(15)16)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3,(H,14,16)
InChIKey
URGAJCLVURYCLJ-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

272.9894 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.99668 159.0
[M+Na]+ 295.97862 174.6
[M+NH4]+ 291.02322 167.3
[M+K]+ 311.95256 165.9
[M-H]- 271.98212 161.2
[M+Na-2H]- 293.96407 165.4
[M]+ 272.98885 162.9
[M]- 272.98995 162.9
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