CID 7019336

1-(3-chlorobenzyl)-1h-1,2,4-triazol-3-amine

Structural Information

Molecular Formula
C9H9ClN4
SMILES
C1=CC(=CC(=C1)Cl)CN2C=NC(=N2)N
InChI
InChI=1S/C9H9ClN4/c10-8-3-1-2-7(4-8)5-14-6-12-9(11)13-14/h1-4,6H,5H2,(H2,11,13)
InChIKey
CNQNEIWBVLGIEA-UHFFFAOYSA-N
Compound name
1-[(3-chlorophenyl)methyl]-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

208.05157 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.05885 142.0
[M+Na]+ 231.04079 156.2
[M+NH4]+ 226.08539 150.2
[M+K]+ 247.01473 150.9
[M-H]- 207.04429 144.9
[M+Na-2H]- 229.02624 150.6
[M]+ 208.05102 145.0
[M]- 208.05212 145.0
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