CID 91664652

2-methyl-5-(trifluoromethyl)nicotinic acid

Structural Information

Molecular Formula
C8H6F3NO2
SMILES
CC1=C(C=C(C=N1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C8H6F3NO2/c1-4-6(7(13)14)2-5(3-12-4)8(9,10)11/h2-3H,1H3,(H,13,14)
InChIKey
OYAHYRKOZUHEGO-UHFFFAOYSA-N
Compound name
2-methyl-5-(trifluoromethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

205.03506 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04234 145.1
[M+Na]+ 228.02428 153.9
[M+NH4]+ 223.06888 149.5
[M+K]+ 243.99822 150.2
[M-H]- 204.02778 140.4
[M+Na-2H]- 226.00973 148.1
[M]+ 205.03451 144.6
[M]- 205.03561 144.6
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