CID 125452186

2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid

Structural Information

Molecular Formula
C9H6F2N2O2
SMILES
C1=CC2=NC(=C(N2C=C1)C(=O)O)C(F)F
InChI
InChI=1S/C9H6F2N2O2/c10-8(11)6-7(9(14)15)13-4-2-1-3-5(13)12-6/h1-4,8H,(H,14,15)
InChIKey
WHZCVAFPJKFQLH-UHFFFAOYSA-N
Compound name
2-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

212.03973 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04701 138.5
[M+Na]+ 235.02895 149.4
[M-H]- 211.03245 137.5
[M+NH4]+ 230.07355 156.9
[M+K]+ 251.00289 146.1
[M+H-H2O]+ 195.03699 130.2
[M+HCOO]- 257.03793 157.6
[M+CH3COO]- 271.05358 183.9
[M+Na-2H]- 233.01440 142.9
[M]+ 212.03918 138.1
[M]- 212.04028 138.1
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