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]+ 243.01988 149.7
[M+Na]+ 265.00182 161.1
[M-H]- 241.00532 151.7
[M+NH4]+ 260.04642 165.9
[M+K]+ 280.97576 154.8
[M+H-H2O]+ 225.00986 141.4
[M+HCOO]- 287.01080 162.7
[M+CH3COO]- 301.02645 161.8
[M+Na-2H]- 262.98727 153.4
[M]+ 242.01205 151.4
[M]- 242.01315 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.