CID 698936

302804-96-2

Structural Information

Molecular Formula
C10H9ClN4O2
SMILES
C1=CC=C(C(=C1)OCC(=O)NC2=NC=NN2)Cl
InChI
InChI=1S/C10H9ClN4O2/c11-7-3-1-2-4-8(7)17-5-9(16)14-10-12-6-13-15-10/h1-4,6H,5H2,(H2,12,13,14,15,16)
InChIKey
JNLCNTTUNFAIBC-UHFFFAOYSA-N
Compound name
2-(2-chlorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0414 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04868 151.3
[M+Na]+ 275.03062 159.7
[M-H]- 251.03412 152.9
[M+NH4]+ 270.07522 165.6
[M+K]+ 291.00456 154.9
[M+H-H2O]+ 235.03866 142.4
[M+HCOO]- 297.03960 168.3
[M+CH3COO]- 311.05525 188.8
[M+Na-2H]- 273.01607 156.7
[M]+ 252.04085 152.4
[M]- 252.04195 152.4
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.