CID 71755652

6-bromo-2,7-dimethyl-3,4-dihydro-2h-1,4-benzoxazin-3-one

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
CC1C(=O)NC2=C(O1)C=C(C(=C2)Br)C
InChI
InChI=1S/C10H10BrNO2/c1-5-3-9-8(4-7(5)11)12-10(13)6(2)14-9/h3-4,6H,1-2H3,(H,12,13)
InChIKey
AHCXBRLGNAUEBO-UHFFFAOYSA-N
Compound name
6-bromo-2,7-dimethyl-4H-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98949 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99677 147.0
[M+Na]+ 277.97871 159.6
[M-H]- 253.98221 152.6
[M+NH4]+ 273.02331 166.1
[M+K]+ 293.95265 149.0
[M+H-H2O]+ 237.98675 147.0
[M+HCOO]- 299.98769 162.8
[M+CH3COO]- 314.00334 190.5
[M+Na-2H]- 275.96416 154.2
[M]+ 254.98894 164.9
[M]- 254.99004 164.9
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.