CID 2474234

1-(4-fluorophenyl)-1h-imidazole-5-carboxylic acid

Structural Information

Molecular Formula
C10H7FN2O2
SMILES
C1=CC(=CC=C1N2C=NC=C2C(=O)O)F
InChI
InChI=1S/C10H7FN2O2/c11-7-1-3-8(4-2-7)13-6-12-5-9(13)10(14)15/h1-6H,(H,14,15)
InChIKey
FNLCJIQJPGSGMV-UHFFFAOYSA-N
Compound name
3-(4-fluorophenyl)imidazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

6
Patents

206.04915 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.056426 139.9
[M+Na]+ 229.038368 149.5
[M-H]- 205.041874 142.2
[M+NH4]+ 224.082973 157.2
[M+K]+ 245.012308 146.1
[M+H-H2O]+ 189.046410 131.4
[M+HCOO]- 251.047351 160.9
[M+CH3COO]- 265.063001 181.7
[M+Na-2H]- 227.023816 143.9
[M]+ 206.04860142 138.8
[M]- 206.04969858 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

literature stripe

Patent stripe

patents stripe