CID 66329679

1512289-45-0

Structural Information

Molecular Formula
C13H8F3NO3
SMILES
C1=CC(=CC(=C1)OC2=NC=CC(=C2)C(F)(F)F)C(=O)O
InChI
InChI=1S/C13H8F3NO3/c14-13(15,16)9-4-5-17-11(7-9)20-10-3-1-2-8(6-10)12(18)19/h1-7H,(H,18,19)
InChIKey
ZPUVCRJUNOOYTD-UHFFFAOYSA-N
Compound name
3-[4-(trifluoromethyl)pyridin-2-yl]oxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

283.04562 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05290 157.5
[M+Na]+ 306.03484 166.4
[M-H]- 282.03834 158.2
[M+NH4]+ 301.07944 171.0
[M+K]+ 322.00878 162.4
[M+H-H2O]+ 266.04288 147.3
[M+HCOO]- 328.04382 174.4
[M+CH3COO]- 342.05947 195.5
[M+Na-2H]- 304.02029 162.1
[M]+ 283.04507 154.7
[M]- 283.04617 154.7
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

patents stripe