CID 64157182

3-(4-bromophenyl)-5-ethyl-1,2-oxazole-4-carboxylic acid

Structural Information

Molecular Formula
C12H10BrNO3
SMILES
CCC1=C(C(=NO1)C2=CC=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C12H10BrNO3/c1-2-9-10(12(15)16)11(14-17-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H,15,16)
InChIKey
ANMFUNGTCLXWGH-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-5-ethyl-1,2-oxazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.9844 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.99168 159.2
[M+Na]+ 317.97362 162.8
[M+NH4]+ 313.01822 162.7
[M+K]+ 333.94756 165.0
[M-H]- 293.97712 160.7
[M+Na-2H]- 315.95907 161.7
[M]+ 294.98385 158.9
[M]- 294.98495 158.9
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.