CID 3087633

115398-70-4

Structural Information

Molecular Formula
C10H10Cl2N4OS
SMILES
CC(C1=NNC(=S)N1N)OC2=C(C=C(C=C2)Cl)Cl
InChI
InChI=1S/C10H10Cl2N4OS/c1-5(9-14-15-10(18)16(9)13)17-8-3-2-6(11)4-7(8)12/h2-5H,13H2,1H3,(H,15,18)
InChIKey
ZVLXVPQNFCLEFV-UHFFFAOYSA-N
Compound name
4-amino-3-[1-(2,4-dichlorophenoxy)ethyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.99524 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.00252 161.8
[M+Na]+ 326.98446 173.3
[M-H]- 302.98796 163.7
[M+NH4]+ 322.02906 175.9
[M+K]+ 342.95840 166.0
[M+H-H2O]+ 286.99250 155.3
[M+HCOO]- 348.99344 167.7
[M+CH3COO]- 363.00909 172.6
[M+Na-2H]- 324.96991 160.1
[M]+ 303.99469 164.8
[M]- 303.99579 164.8
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.