CID 46318021

3-methoxy-6-(trifluoromethyl)picolinic acid

Structural Information

Molecular Formula
C8H6F3NO3
SMILES
COC1=C(N=C(C=C1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C8H6F3NO3/c1-15-4-2-3-5(8(9,10)11)12-6(4)7(13)14/h2-3H,1H3,(H,13,14)
InChIKey
DNIWSOTWTRSLCX-UHFFFAOYSA-N
Compound name
3-methoxy-6-(trifluoromethyl)pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

221.02998 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.03726 147.8
[M+Na]+ 244.01920 156.2
[M+NH4]+ 239.06380 151.7
[M+K]+ 259.99314 153.0
[M-H]- 220.02270 142.7
[M+Na-2H]- 242.00465 150.4
[M]+ 221.02943 147.1
[M]- 221.03053 147.1
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