CID 1473643

400080-22-0

Structural Information

Molecular Formula
C10H8Cl2N4O2
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC2=NC(=NN2)C(=O)N
InChI
InChI=1S/C10H8Cl2N4O2/c11-5-1-2-7(6(12)3-5)18-4-8-14-10(9(13)17)16-15-8/h1-3H,4H2,(H2,13,17)(H,14,15,16)
InChIKey
HZRFDXVYQRQBOD-UHFFFAOYSA-N
Compound name
5-[(2,4-dichlorophenoxy)methyl]-1H-1,2,4-triazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.00244 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.00972 157.7
[M+Na]+ 308.99166 167.9
[M-H]- 284.99516 158.7
[M+NH4]+ 304.03626 171.2
[M+K]+ 324.96560 161.7
[M+H-H2O]+ 268.99970 149.7
[M+HCOO]- 331.00064 168.7
[M+CH3COO]- 345.01629 195.8
[M+Na-2H]- 306.97711 159.6
[M]+ 286.00189 159.6
[M]- 286.00299 159.6
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.