CID 45117776

861397-68-4

Structural Information

Molecular Formula
C5H5FN2O2
SMILES
C1=CN(C=N1)C(C(=O)O)F
InChI
InChI=1S/C5H5FN2O2/c6-4(5(9)10)8-2-1-7-3-8/h1-4H,(H,9,10)
InChIKey
SOTNNZZAFRNWMA-UHFFFAOYSA-N
Compound name
2-fluoro-2-imidazol-1-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

144.03351 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04079 124.7
[M+Na]+ 167.02273 133.0
[M-H]- 143.02623 123.3
[M+NH4]+ 162.06733 144.2
[M+K]+ 182.99667 132.2
[M+H-H2O]+ 127.03077 117.3
[M+HCOO]- 189.03171 144.8
[M+CH3COO]- 203.04736 169.6
[M+Na-2H]- 165.00818 129.1
[M]+ 144.03296 122.7
[M]- 144.03406 122.7
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.