CID 3087632

Brn 5962903

Structural Information

Molecular Formula
C10H11ClN4OS
SMILES
CC(C1=NNC(=S)N1N)OC2=CC=C(C=C2)Cl
InChI
InChI=1S/C10H11ClN4OS/c1-6(9-13-14-10(17)15(9)12)16-8-4-2-7(11)3-5-8/h2-6H,12H2,1H3,(H,14,17)
InChIKey
WOTWEYDLLKQWAU-UHFFFAOYSA-N
Compound name
4-amino-3-[1-(4-chlorophenoxy)ethyl]-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.04148 157.4
[M+Na]+ 293.02342 169.8
[M+NH4]+ 288.06802 164.3
[M+K]+ 308.99736 163.9
[M-H]- 269.02692 159.1
[M+Na-2H]- 291.00887 162.9
[M]+ 270.03365 160.1
[M]- 270.03475 160.1
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.