CID 18071057

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

Structural Information

Molecular Formula
C12H10BrNO3
SMILES
C1=CC=C(C(=C1)C2=CN=C(O2)CCC(=O)O)Br
InChI
InChI=1S/C12H10BrNO3/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
RFZVWEYACPUOBN-UHFFFAOYSA-N
Compound name
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9844 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.99168 159.6
[M+Na]+ 317.97362 162.9
[M+NH4]+ 313.01822 163.1
[M+K]+ 333.94756 164.9
[M-H]- 293.97712 161.1
[M+Na-2H]- 315.95907 162.3
[M]+ 294.98385 159.2
[M]- 294.98495 159.2
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.