CID 79876961

1540318-18-0

Structural Information

Molecular Formula
C8H7F3N2O2
SMILES
CNC1=C(C=CC(=N1)C(F)(F)F)C(=O)O
InChI
InChI=1S/C8H7F3N2O2/c1-12-6-4(7(14)15)2-3-5(13-6)8(9,10)11/h2-3H,1H3,(H,12,13)(H,14,15)
InChIKey
HXILAFARQDOBNL-UHFFFAOYSA-N
Compound name
2-(methylamino)-6-(trifluoromethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.04596 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.05324 141.3
[M+Na]+ 243.03518 150.3
[M-H]- 219.03868 139.0
[M+NH4]+ 238.07978 157.6
[M+K]+ 259.00912 147.6
[M+H-H2O]+ 203.04322 132.7
[M+HCOO]- 265.04416 159.3
[M+CH3COO]- 279.05981 187.5
[M+Na-2H]- 241.02063 146.2
[M]+ 220.04541 136.9
[M]- 220.04651 136.9
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

No patent data available for this compound.