CID 27282729

6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C9H5F3N2O2
SMILES
C1=CC2=NC(=CN2C=C1C(F)(F)F)C(=O)O
InChI
InChI=1S/C9H5F3N2O2/c10-9(11,12)5-1-2-7-13-6(8(15)16)4-14(7)3-5/h1-4H,(H,15,16)
InChIKey
KASXDWUVBQTSFN-UHFFFAOYSA-N
Compound name
6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

230.03032 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.03760 142.2
[M+Na]+ 253.01954 153.9
[M-H]- 229.02304 140.1
[M+NH4]+ 248.06414 160.0
[M+K]+ 268.99348 150.1
[M+H-H2O]+ 213.02758 133.5
[M+HCOO]- 275.02852 159.6
[M+CH3COO]- 289.04417 185.5
[M+Na-2H]- 251.00499 148.0
[M]+ 230.02977 140.6
[M]- 230.03087 140.6
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