CID 16663122

N-(2,4-dichlorophenyl)-1h-1,2,3-triazole-4-carboxamide

Structural Information

Molecular Formula
C9H6Cl2N4O
SMILES
C1=CC(=C(C=C1Cl)Cl)NC(=O)C2=NNN=C2
InChI
InChI=1S/C9H6Cl2N4O/c10-5-1-2-7(6(11)3-5)13-9(16)8-4-12-15-14-8/h1-4H,(H,13,16)(H,12,14,15)
InChIKey
GAGGCNZJYKWGJL-UHFFFAOYSA-N
Compound name
N-(2,4-dichlorophenyl)-2H-triazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

255.99187 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99915 150.8
[M+Na]+ 278.98109 160.9
[M-H]- 254.98459 152.0
[M+NH4]+ 274.02569 165.6
[M+K]+ 294.95503 154.5
[M+H-H2O]+ 238.98913 142.7
[M+HCOO]- 300.99007 162.5
[M+CH3COO]- 315.00572 162.1
[M+Na-2H]- 276.96654 154.9
[M]+ 255.99132 151.5
[M]- 255.99242 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe