CID 50989692

944900-39-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

206.03032 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.03760 137.2
[M+Na]+ 229.01954 146.6
[M-H]- 205.02304 134.6
[M+NH4]+ 224.06414 153.8
[M+K]+ 244.99348 143.8
[M+H-H2O]+ 189.02758 128.8
[M+HCOO]- 251.02852 154.8
[M+CH3COO]- 265.04417 183.9
[M+Na-2H]- 227.00499 141.5
[M]+ 206.02977 131.4
[M]- 206.03087 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