CID 5064432

5-(2-chlorophenyl)-4h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C8H7ClN4
SMILES
C1=CC=C(C(=C1)C2=NC(=NN2)N)Cl
InChI
InChI=1S/C8H7ClN4/c9-6-4-2-1-3-5(6)7-11-8(10)13-12-7/h1-4H,(H3,10,11,12,13)
InChIKey
LVSNWMVOAUEVKU-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-1H-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

194.03592 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.04320 137.8
[M+Na]+ 217.02514 151.7
[M+NH4]+ 212.06974 145.8
[M+K]+ 232.99908 146.9
[M-H]- 193.02864 140.2
[M+Na-2H]- 215.01059 146.1
[M]+ 194.03537 140.6
[M]- 194.03647 140.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe