CID 82129741

5-(3-bromophenyl)-4-methyl-1,3-oxazole

Structural Information

Molecular Formula
C10H8BrNO
SMILES
CC1=C(OC=N1)C2=CC(=CC=C2)Br
InChI
InChI=1S/C10H8BrNO/c1-7-10(13-6-12-7)8-3-2-4-9(11)5-8/h2-6H,1H3
InChIKey
YKNZARVPEXSUEZ-UHFFFAOYSA-N
Compound name
5-(3-bromophenyl)-4-methyl-1,3-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.97893 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.98621 144.9
[M+Na]+ 259.96815 150.1
[M+NH4]+ 255.01275 150.4
[M+K]+ 275.94209 150.9
[M-H]- 235.97165 148.1
[M+Na-2H]- 257.95360 149.9
[M]+ 236.97838 145.5
[M]- 236.97948 145.5
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.