CID 125454598

2-(difluoromethyl)-5h,6h,7h,8h-imidazo[1,2-a]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H10F2N2O2
SMILES
C1CCN2C(=NC(=C2C(=O)O)C(F)F)C1
InChI
InChI=1S/C9H10F2N2O2/c10-8(11)6-7(9(14)15)13-4-2-1-3-5(13)12-6/h8H,1-4H2,(H,14,15)
InChIKey
VUZWQGLSALVGPX-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

216.07103 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.07831 143.4
[M+Na]+ 239.06025 151.2
[M-H]- 215.06375 141.1
[M+NH4]+ 234.10485 161.2
[M+K]+ 255.03419 148.5
[M+H-H2O]+ 199.06829 135.0
[M+HCOO]- 261.06923 158.0
[M+CH3COO]- 275.08488 184.9
[M+Na-2H]- 237.04570 144.7
[M]+ 216.07048 138.6
[M]- 216.07158 138.6
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