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 156.7
[M+Na]+ 379.88922 168.2
[M-H]- 355.89272 165.8
[M+NH4]+ 374.93382 173.6
[M+K]+ 395.86316 154.3
[M+H-H2O]+ 339.89726 164.4
[M+HCOO]- 401.89820 172.3
[M+CH3COO]- 415.91385 210.9
[M+Na-2H]- 377.87467 161.6
[M]+ 356.89945 193.0
[M]- 356.90055 193.0
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