CID 698936

2-(2-chlorophenoxy)-n-(4h-1,2,4-triazol-3-yl)acetamide

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 152.1
[M+Na]+ 275.03062 164.1
[M+NH4]+ 270.07522 158.3
[M+K]+ 291.00456 160.4
[M-H]- 251.03412 153.1
[M+Na-2H]- 273.01607 159.1
[M]+ 252.04085 154.0
[M]- 252.04195 154.0
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.