CID 2775683

261635-93-2

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

210
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 136.8
[M+Na]+ 228.02428 146.7
[M-H]- 204.02778 134.6
[M+NH4]+ 223.06888 154.1
[M+K]+ 243.99822 144.1
[M+H-H2O]+ 188.03232 128.7
[M+HCOO]- 250.03326 153.8
[M+CH3COO]- 264.04891 182.6
[M+Na-2H]- 226.00973 141.5
[M]+ 205.03451 133.1
[M]- 205.03561 133.1
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