CID 16227569

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

Structural Information

Molecular Formula
C12H10ClNO3
SMILES
C1=CC=C(C(=C1)C2=CN=C(O2)CCC(=O)O)Cl
InChI
InChI=1S/C12H10ClNO3/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
CYIOOFBFHBHUEN-UHFFFAOYSA-N
Compound name
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.03493 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.04221 152.3
[M+Na]+ 274.02415 166.1
[M+NH4]+ 269.06875 159.8
[M+K]+ 289.99809 161.8
[M-H]- 250.02765 155.6
[M+Na-2H]- 272.00960 158.8
[M]+ 251.03438 155.4
[M]- 251.03548 155.4
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.