CID 16227591

3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoic acid

Structural Information

Molecular Formula
C12H9F2NO3
SMILES
C1=CC(=C(C=C1F)F)C2=CN=C(O2)CCC(=O)O
InChI
InChI=1S/C12H9F2NO3/c13-7-1-2-8(9(14)5-7)10-6-15-11(18-10)3-4-12(16)17/h1-2,5-6H,3-4H2,(H,16,17)
InChIKey
UXHQUUDVIZGIEK-UHFFFAOYSA-N
Compound name
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.05505 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.06233 150.7
[M+Na]+ 276.04427 160.4
[M-H]- 252.04777 153.6
[M+NH4]+ 271.08887 166.3
[M+K]+ 292.01821 157.7
[M+H-H2O]+ 236.05231 142.0
[M+HCOO]- 298.05325 170.5
[M+CH3COO]- 312.06890 191.0
[M+Na-2H]- 274.02972 153.1
[M]+ 253.05450 151.1
[M]- 253.05560 151.1
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.