CID 776530

Methyl 3-(3-bromophenyl)-1,2-oxazole-5-carboxylate

Structural Information

Molecular Formula
C11H8BrNO3
SMILES
COC(=O)C1=CC(=NO1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C11H8BrNO3/c1-15-11(14)10-6-9(13-16-10)7-3-2-4-8(12)5-7/h2-6H,1H3
InChIKey
ULDKSOMTGPDKLB-UHFFFAOYSA-N
Compound name
methyl 3-(3-bromophenyl)-1,2-oxazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

280.96875 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.97603 153.9
[M+Na]+ 303.95797 157.8
[M+NH4]+ 299.00257 157.8
[M+K]+ 319.93191 159.9
[M-H]- 279.96147 155.8
[M+Na-2H]- 301.94342 157.4
[M]+ 280.96820 153.7
[M]- 280.96930 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.