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)pyridin-2-yl]oxymethyl]phenyl]prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

134
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 181.1
[M+Na]+ 376.07672 189.6
[M+NH4]+ 371.12132 183.8
[M+K]+ 392.05066 185.3
[M-H]- 352.08022 177.4
[M+Na-2H]- 374.06217 184.6
[M]+ 353.08695 180.8
[M]- 353.08805 180.8
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

patents stripe