CID 16227571

23464-94-0

Structural Information

Molecular Formula
C12H10FNO3
SMILES
C1=CC(=CC=C1C2=CN=C(O2)CCC(=O)O)F
InChI
InChI=1S/C12H10FNO3/c13-9-3-1-8(2-4-9)10-7-14-11(17-10)5-6-12(15)16/h1-4,7H,5-6H2,(H,15,16)
InChIKey
XCFZOPRHLRLVDB-UHFFFAOYSA-N
Compound name
3-[5-(4-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]+ 236.07175 148.2
[M+Na]+ 258.05369 157.0
[M-H]- 234.05719 152.2
[M+NH4]+ 253.09829 164.3
[M+K]+ 274.02763 154.7
[M+H-H2O]+ 218.06173 140.3
[M+HCOO]- 280.06267 169.1
[M+CH3COO]- 294.07832 187.1
[M+Na-2H]- 256.03914 151.9
[M]+ 235.06392 149.3
[M]- 235.06502 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.