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 152.4
[M+Na]+ 274.02415 161.8
[M-H]- 250.02765 157.5
[M+NH4]+ 269.06875 168.8
[M+K]+ 289.99809 158.2
[M+H-H2O]+ 234.03219 145.9
[M+HCOO]- 296.03313 169.6
[M+CH3COO]- 310.04878 188.2
[M+Na-2H]- 272.00960 156.1
[M]+ 251.03438 156.6
[M]- 251.03548 156.6
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.