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

33
Patents

212.03973 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.047006 138.5
[M+Na]+ 235.028948 149.4
[M-H]- 211.032454 137.5
[M+NH4]+ 230.073553 156.9
[M+K]+ 251.002888 146.1
[M+H-H2O]+ 195.036990 130.2
[M+HCOO]- 257.037931 157.6
[M+CH3COO]- 271.053581 183.9
[M+Na-2H]- 233.014396 142.9
[M]+ 212.03918142 138.1
[M]- 212.04027858 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