CID 132347029

4,4-difluoro-3-(1h-imidazol-1-yl)butanoic acid

Structural Information

Molecular Formula
C7H8F2N2O2
SMILES
C1=CN(C=N1)C(CC(=O)O)C(F)F
InChI
InChI=1S/C7H8F2N2O2/c8-7(9)5(3-6(12)13)11-2-1-10-4-11/h1-2,4-5,7H,3H2,(H,12,13)
InChIKey
JLQNYZVOGFPUEQ-UHFFFAOYSA-N
Compound name
4,4-difluoro-3-imidazol-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.05539 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.062666 136.3
[M+Na]+ 213.044608 143.4
[M-H]- 189.048114 133.2
[M+NH4]+ 208.089213 153.7
[M+K]+ 229.018548 142.2
[M+H-H2O]+ 173.052650 127.5
[M+HCOO]- 235.053591 153.6
[M+CH3COO]- 249.069241 179.3
[M+Na-2H]- 211.030056 137.9
[M]+ 190.05484142 133.3
[M]- 190.05593858 133.3
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.