CID 43051698

2-(2-chloro-4-fluorophenoxy)-n-[5-(trifluoromethyl)-4h-1,2,4-triazol-3-yl]acetamide

Structural Information

Molecular Formula
C11H7ClF4N4O2
SMILES
C1=CC(=C(C=C1F)Cl)OCC(=O)NC2=NNC(=N2)C(F)(F)F
InChI
InChI=1S/C11H7ClF4N4O2/c12-6-3-5(13)1-2-7(6)22-4-8(21)17-10-18-9(19-20-10)11(14,15)16/h1-3H,4H2,(H2,17,18,19,20,21)
InChIKey
IDAPHGROEVJQSY-UHFFFAOYSA-N
Compound name
2-(2-chloro-4-fluorophenoxy)-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

338.01938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02666 165.2
[M+Na]+ 361.00860 175.5
[M-H]- 337.01210 162.4
[M+NH4]+ 356.05320 176.5
[M+K]+ 376.98254 169.2
[M+H-H2O]+ 321.01664 153.6
[M+HCOO]- 383.01758 176.0
[M+CH3COO]- 397.03323 204.8
[M+Na-2H]- 358.99405 167.4
[M]+ 338.01883 162.6
[M]- 338.01993 162.6
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

patents stripe