CID 171370317

1-[(2,3-dichlorophenyl)methyl]-1h-1,2,3-triazol-5-amine

Structural Information

Molecular Formula
C9H8Cl2N4
SMILES
C1=CC(=C(C(=C1)Cl)Cl)CN2C(=CN=N2)N
InChI
InChI=1S/C9H8Cl2N4/c10-7-3-1-2-6(9(7)11)5-15-8(12)4-13-14-15/h1-4H,5,12H2
InChIKey
NFYXGABGAHSSAP-UHFFFAOYSA-N
Compound name
3-[(2,3-dichlorophenyl)methyl]triazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.0126 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.019876 149.7
[M+Na]+ 265.001818 161.1
[M-H]- 241.005324 151.7
[M+NH4]+ 260.046423 165.9
[M+K]+ 280.975758 154.8
[M+H-H2O]+ 225.009860 141.4
[M+HCOO]- 287.010801 162.7
[M+CH3COO]- 301.026451 161.8
[M+Na-2H]- 262.987266 153.4
[M]+ 242.01205142 151.4
[M]- 242.01314858 151.4
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.