CID 379590

67927-44-0

Structural Information

Molecular Formula
C8H6BrNO2
SMILES
CN1C2=C(C=C(C=C2)Br)OC1=O
InChI
InChI=1S/C8H6BrNO2/c1-10-6-3-2-5(9)4-7(6)12-8(10)11/h2-4H,1H3
InChIKey
OASANCDKMGODJO-UHFFFAOYSA-N
Compound name
6-bromo-3-methyl-1,3-benzoxazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

226.95819 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.96547 138.3
[M+Na]+ 249.94741 143.7
[M+NH4]+ 244.99201 143.4
[M+K]+ 265.92135 145.2
[M-H]- 225.95091 139.7
[M+Na-2H]- 247.93286 141.5
[M]+ 226.95764 138.3
[M]- 226.95874 138.3
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

patents stripe