CID 170915145

1-(5-fluoropyridin-2-yl)-1h-imidazole-5-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C9H6FN3O2
SMILES
C1=CC(=NC=C1F)N2C=NC=C2C(=O)O
InChI
InChI=1S/C9H6FN3O2/c10-6-1-2-8(12-3-6)13-5-11-4-7(13)9(14)15/h1-5H,(H,14,15)
InChIKey
PYLCIGZKSMWCMV-UHFFFAOYSA-N
Compound name
3-(5-fluoro-2-pyridinyl)imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.0444 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.051676 139.8
[M+Na]+ 230.033618 149.9
[M-H]- 206.037124 140.8
[M+NH4]+ 225.078223 155.6
[M+K]+ 246.007558 146.5
[M+H-H2O]+ 190.041660 130.6
[M+HCOO]- 252.042601 159.7
[M+CH3COO]- 266.058251 181.6
[M+Na-2H]- 228.019066 144.3
[M]+ 207.04385142 138.8
[M]- 207.04494858 138.8
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

No patent data available for this compound.