CID 16227597

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoic acid

Structural Information

Molecular Formula
C12H10FNO3
SMILES
C1=CC=C(C(=C1)C2=CN=C(O2)CCC(=O)O)F
InChI
InChI=1S/C12H10FNO3/c13-9-4-2-1-3-8(9)10-7-14-11(17-10)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKey
QDFMTZISEJIKQK-UHFFFAOYSA-N
Compound name
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.06447 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.071746 148.2
[M+Na]+ 258.053688 157.0
[M-H]- 234.057194 152.2
[M+NH4]+ 253.098293 164.3
[M+K]+ 274.027628 154.7
[M+H-H2O]+ 218.061730 140.3
[M+HCOO]- 280.062671 169.1
[M+CH3COO]- 294.078321 187.1
[M+Na-2H]- 256.039136 151.9
[M]+ 235.06392142 149.3
[M]- 235.06501858 149.3
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.