CID 66916405

Dtxsid40904639

Structural Information

Molecular Formula
C17H14F3NO4
SMILES
CO/C=C(\C1=CC=CC=C1COC2=CC=CC(=N2)C(F)(F)F)/C(=O)O
InChI
InChI=1S/C17H14F3NO4/c1-24-10-13(16(22)23)12-6-3-2-5-11(12)9-25-15-8-4-7-14(21-15)17(18,19)20/h2-8,10H,9H2,1H3,(H,22,23)/b13-10+
InChIKey
HUGINNZOWWNDGC-JLHYYAGUSA-N
Compound name
(E)-3-methoxy-2-[2-[[6-(trifluoromethyl)-2-pyridinyl]oxymethyl]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

149
Patents

353.0875 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.09478 177.6
[M+Na]+ 376.07672 184.5
[M-H]- 352.08022 177.6
[M+NH4]+ 371.12132 187.9
[M+K]+ 392.05066 180.3
[M+H-H2O]+ 336.08476 166.5
[M+HCOO]- 398.08570 192.4
[M+CH3COO]- 412.10135 208.9
[M+Na-2H]- 374.06217 179.0
[M]+ 353.08695 176.1
[M]- 353.08805 176.1
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.