CID 3055229

Nd186p9

Structural Information

Molecular Formula
C13H8F3NO3
SMILES
C1=CC(=CC=C1C(F)(F)F)OC2=CN=C(C=C2)C(=O)O
InChI
InChI=1S/C13H8F3NO3/c14-13(15,16)8-1-3-9(4-2-8)20-10-5-6-11(12(18)19)17-7-10/h1-7H,(H,18,19)
InChIKey
JXPYTHDXGAGHBU-UHFFFAOYSA-N
Compound name
5-[4-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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 162.7
[M+Na]+ 306.03484 172.8
[M+NH4]+ 301.07944 167.0
[M+K]+ 322.00878 168.1
[M-H]- 282.03834 160.1
[M+Na-2H]- 304.02029 168.0
[M]+ 283.04507 163.1
[M]- 283.04617 163.1
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

patents stripe