CID 87393006

936479-38-8

Structural Information

Molecular Formula
C12H9Br2NO2
SMILES
CC1=C(C(=NO1)C2=CC=C(C=C2)Br)C(=O)CBr
InChI
InChI=1S/C12H9Br2NO2/c1-7-11(10(16)6-13)12(15-17-7)8-2-4-9(14)5-3-8/h2-5H,6H2,1H3
InChIKey
VZOVSEUZTNLQFY-UHFFFAOYSA-N
Compound name
2-bromo-1-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

356.9 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.90728 164.9
[M+Na]+ 379.88922 160.4
[M+NH4]+ 374.93382 166.3
[M+K]+ 395.86316 167.4
[M-H]- 355.89272 166.5
[M+Na-2H]- 377.87467 165.8
[M]+ 356.89945 163.6
[M]- 356.90055 163.6
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

patents stripe