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 143.3
[M+Na]+ 231.04079 154.7
[M-H]- 207.04429 146.4
[M+NH4]+ 226.08539 160.7
[M+K]+ 247.01473 149.5
[M+H-H2O]+ 191.04883 135.0
[M+HCOO]- 253.04977 161.8
[M+CH3COO]- 267.06542 156.5
[M+Na-2H]- 229.02624 148.0
[M]+ 208.05102 144.3
[M]- 208.05212 144.3
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.