CID 210618

Brn 0652023

Structural Information

Molecular Formula
C10H9Br2NO2
SMILES
CC1(C2=C(C(=CC(=C2)Br)Br)NC(=O)O1)C
InChI
InChI=1S/C10H9Br2NO2/c1-10(2)6-3-5(11)4-7(12)8(6)13-9(14)15-10/h3-4H,1-2H3,(H,13,14)
InChIKey
YKSISAXLBMWBNF-UHFFFAOYSA-N
Compound name
6,8-dibromo-4,4-dimethyl-1H-3,1-benzoxazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.9 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.90728 145.0
[M+Na]+ 355.88922 156.6
[M-H]- 331.89272 151.3
[M+NH4]+ 350.93382 163.3
[M+K]+ 371.86316 142.2
[M+H-H2O]+ 315.89726 153.9
[M+HCOO]- 377.89820 156.6
[M+CH3COO]- 391.91385 206.5
[M+Na-2H]- 353.87467 153.0
[M]+ 332.89945 179.1
[M]- 332.90055 179.1
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.