CID 165598116

6-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid

Structural Information

Molecular Formula
C9H4ClF3N2O2
SMILES
C1=C(C2=NC(=CN2C=C1Cl)C(=O)O)C(F)(F)F
InChI
InChI=1S/C9H4ClF3N2O2/c10-4-1-5(9(11,12)13)7-14-6(8(16)17)3-15(7)2-4/h1-3H,(H,16,17)
InChIKey
BSXKCFSPUZHZCA-UHFFFAOYSA-N
Compound name
6-chloro-8-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.99133 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.998606 146.9
[M+Na]+ 286.980548 160.2
[M-H]- 262.984054 145.0
[M+NH4]+ 282.025153 164.5
[M+K]+ 302.954488 154.7
[M+H-H2O]+ 246.988590 138.9
[M+HCOO]- 308.989531 159.6
[M+CH3COO]- 323.005181 190.5
[M+Na-2H]- 284.965996 151.6
[M]+ 263.99078142 147.8
[M]- 263.99187858 147.8
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.