CID 3928817

353258-35-2

Structural Information

Molecular Formula
C9H4ClF3N2O2
SMILES
C1=C(C2=NC(=CN2C=C1C(F)(F)F)C(=O)O)Cl
InChI
InChI=1S/C9H4ClF3N2O2/c10-5-1-4(9(11,12)13)2-15-3-6(8(16)17)14-7(5)15/h1-3H,(H,16,17)
InChIKey
BNADDMQVCIRZBW-UHFFFAOYSA-N
Compound name
8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

263.99133 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.99861 146.9
[M+Na]+ 286.98055 160.2
[M-H]- 262.98405 145.0
[M+NH4]+ 282.02515 164.5
[M+K]+ 302.95449 154.7
[M+H-H2O]+ 246.98859 138.9
[M+HCOO]- 308.98953 159.6
[M+CH3COO]- 323.00518 190.5
[M+Na-2H]- 284.96600 151.6
[M]+ 263.99078 147.8
[M]- 263.99188 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

patents stripe