CID 12978215

75369-61-8

Structural Information

Molecular Formula
C14H11F3N2O3
SMILES
CC1=C(C=CC=C1NC2=C(C=C(C=N2)O)C(=O)O)C(F)(F)F
InChI
InChI=1S/C14H11F3N2O3/c1-7-10(14(15,16)17)3-2-4-11(7)19-12-9(13(21)22)5-8(20)6-18-12/h2-6,20H,1H3,(H,18,19)(H,21,22)
InChIKey
JSXNJGKWSWRIGA-UHFFFAOYSA-N
Compound name
5-hydroxy-2-[2-methyl-3-(trifluoromethyl)anilino]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

9
Patents

312.07217 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.07945 169.5
[M+Na]+ 335.06139 178.3
[M+NH4]+ 330.10599 172.8
[M+K]+ 351.03533 174.6
[M-H]- 311.06489 166.7
[M+Na-2H]- 333.04684 173.3
[M]+ 312.07162 169.5
[M]- 312.07272 169.5
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