CID 165981292

2-fluoro-2-(1,2-oxazol-3-yl)propanoic acid

Structural Information

Molecular Formula
C6H6FNO3
SMILES
CC(C1=NOC=C1)(C(=O)O)F
InChI
InChI=1S/C6H6FNO3/c1-6(7,5(9)10)4-2-3-11-8-4/h2-3H,1H3,(H,9,10)
InChIKey
ZNKKGQGMFDOUSV-UHFFFAOYSA-N
Compound name
2-fluoro-2-(1,2-oxazol-3-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

159.03317 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.04045 127.5
[M+Na]+ 182.02239 136.0
[M-H]- 158.02589 128.2
[M+NH4]+ 177.06699 146.6
[M+K]+ 197.99633 136.4
[M+H-H2O]+ 142.03043 121.5
[M+HCOO]- 204.03137 147.3
[M+CH3COO]- 218.04702 171.3
[M+Na-2H]- 180.00784 134.5
[M]+ 159.03262 127.5
[M]- 159.03372 127.5
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.