CID 99363

67836-16-2

Structural Information

Molecular Formula
C10H8Cl2N4O2
SMILES
C1=CC(=C(C=C1Cl)Cl)OCC(=O)NC2=NC=NN2
InChI
InChI=1S/C10H8Cl2N4O2/c11-6-1-2-8(7(12)3-6)18-4-9(17)15-10-13-5-14-16-10/h1-3,5H,4H2,(H2,13,14,15,16,17)
InChIKey
AWGQWXZTLQZPBE-UHFFFAOYSA-N
Compound name
2-(2,4-dichlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

286.00244 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.00972 157.1
[M+Na]+ 308.99166 166.6
[M-H]- 284.99516 158.3
[M+NH4]+ 304.03626 170.7
[M+K]+ 324.96560 160.7
[M+H-H2O]+ 268.99970 148.8
[M+HCOO]- 331.00064 168.8
[M+CH3COO]- 345.01629 194.5
[M+Na-2H]- 306.97711 160.8
[M]+ 286.00189 159.5
[M]- 286.00299 159.5
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