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 146.0
[M+Na]+ 277.97871 150.3
[M+NH4]+ 273.02331 150.8
[M+K]+ 293.95265 150.5
[M-H]- 253.98221 147.4
[M+Na-2H]- 275.96416 147.6
[M]+ 254.98894 145.8
[M]- 254.99004 145.8
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.