CID 84121019

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

Structural Information

Molecular Formula
C9H9ClN4
SMILES
CN1C(=NC(=N1)C2=CC=CC=C2Cl)N
InChI
InChI=1S/C9H9ClN4/c1-14-9(11)12-8(13-14)6-4-2-3-5-7(6)10/h2-5H,1H3,(H2,11,12,13)
InChIKey
CXOIJGDXKPECLI-UHFFFAOYSA-N
Compound name
5-(2-chlorophenyl)-2-methyl-1,2,4-triazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 142.2
[M+Na]+ 231.04079 156.8
[M+NH4]+ 226.08539 150.4
[M+K]+ 247.01473 151.7
[M-H]- 207.04429 145.1
[M+Na-2H]- 229.02624 150.5
[M]+ 208.05102 145.3
[M]- 208.05212 145.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.