CID 184260

110607-57-3

Structural Information

Molecular Formula
C14H14F3N3O3
SMILES
CCOC(=O)C(C)OC1=NN(C=N1)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C14H14F3N3O3/c1-3-22-12(21)9(2)23-13-18-8-20(19-13)11-6-4-5-10(7-11)14(15,16)17/h4-9H,3H2,1-2H3
InChIKey
BPZYQZOVGXDPLI-UHFFFAOYSA-N
Compound name
ethyl 2-[[1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]oxy]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

329.09872 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.10600 170.7
[M+Na]+ 352.08794 179.1
[M-H]- 328.09144 170.1
[M+NH4]+ 347.13254 182.2
[M+K]+ 368.06188 176.1
[M+H-H2O]+ 312.09598 159.1
[M+HCOO]- 374.09692 185.9
[M+CH3COO]- 388.11257 206.4
[M+Na-2H]- 350.07339 171.7
[M]+ 329.09817 171.2
[M]- 329.09927 171.2
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