CID 11687107

2-amino-6-(trifluoromethyl)nicotinic acid

Structural Information

Molecular Formula
C7H5F3N2O2
SMILES
C1=CC(=NC(=C1C(=O)O)N)C(F)(F)F
InChI
InChI=1S/C7H5F3N2O2/c8-7(9,10)4-2-1-3(6(13)14)5(11)12-4/h1-2H,(H2,11,12)(H,13,14)
InChIKey
KGAHVTPLUOJADL-UHFFFAOYSA-N
Compound name
2-amino-6-(trifluoromethyl)pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

206.03032 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.037596 137.2
[M+Na]+ 229.019538 146.6
[M-H]- 205.023044 134.6
[M+NH4]+ 224.064143 153.8
[M+K]+ 244.993478 143.8
[M+H-H2O]+ 189.027580 128.8
[M+HCOO]- 251.028521 154.8
[M+CH3COO]- 265.044171 183.9
[M+Na-2H]- 227.004986 141.5
[M]+ 206.02977142 131.4
[M]- 206.03086858 131.4
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