CID 177800344

Methyl 3,8-difluoroimidazo[1,2-a]pyridine-2-carboxylate

Structural Information

Molecular Formula
C9H6F2N2O2
SMILES
COC(=O)C1=C(N2C=CC=C(C2=N1)F)F
InChI
InChI=1S/C9H6F2N2O2/c1-15-9(14)6-7(11)13-4-2-3-5(10)8(13)12-6/h2-4H,1H3
InChIKey
QJQRODKCKCKYCD-UHFFFAOYSA-N
Compound name
methyl 3,8-difluoroimidazo[1,2-a]pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.03973 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.04701 137.9
[M+Na]+ 235.02895 150.6
[M-H]- 211.03245 138.7
[M+NH4]+ 230.07355 157.5
[M+K]+ 251.00289 147.6
[M+H-H2O]+ 195.03699 129.6
[M+HCOO]- 257.03793 159.5
[M+CH3COO]- 271.05358 186.1
[M+Na-2H]- 233.01440 143.3
[M]+ 212.03918 140.4
[M]- 212.04028 140.4
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.