CID 720861

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

Structural Information

Molecular Formula
C11H11ClN4O2
SMILES
CC1=C(C=CC(=C1)Cl)OCC(=O)NC2=NC=NN2
InChI
InChI=1S/C11H11ClN4O2/c1-7-4-8(12)2-3-9(7)18-5-10(17)15-11-13-6-14-16-11/h2-4,6H,5H2,1H3,(H2,13,14,15,16,17)
InChIKey
MFXVPCCOHPNBJV-UHFFFAOYSA-N
Compound name
2-(4-chloro-2-methylphenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

266.05707 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.064346 156.5
[M+Na]+ 289.046288 165.3
[M-H]- 265.049794 158.3
[M+NH4]+ 284.090893 170.5
[M+K]+ 305.020228 160.3
[M+H-H2O]+ 249.054330 147.7
[M+HCOO]- 311.055271 173.1
[M+CH3COO]- 325.070921 193.0
[M+Na-2H]- 287.031736 160.5
[M]+ 266.05652142 158.3
[M]- 266.05761858 158.3
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

No patent data available for this compound.