CID 137838441

2095410-99-2

Structural Information

Molecular Formula
C14H10F3NO3
SMILES
C1=CC(=C(N=C1)OCC2=CC=C(C=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C14H10F3NO3/c15-14(16,17)10-5-3-9(4-6-10)8-21-12-11(13(19)20)2-1-7-18-12/h1-7H,8H2,(H,19,20)
InChIKey
OPDGHOCPOHFNTA-UHFFFAOYSA-N
Compound name
2-[[4-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.06128 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.06856 162.2
[M+Na]+ 320.05050 170.7
[M-H]- 296.05400 162.7
[M+NH4]+ 315.09510 175.1
[M+K]+ 336.02444 166.4
[M+H-H2O]+ 280.05854 151.8
[M+HCOO]- 342.05948 178.7
[M+CH3COO]- 356.07513 198.4
[M+Na-2H]- 318.03595 166.2
[M]+ 297.06073 159.7
[M]- 297.06183 159.7
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.