CID 54758742

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

Structural Information

Molecular Formula
C9H8BrNO2
SMILES
CN1C(=O)COC2=C1C=CC(=C2)Br
InChI
InChI=1S/C9H8BrNO2/c1-11-7-3-2-6(10)4-8(7)13-5-9(11)12/h2-4H,5H2,1H3
InChIKey
PAIXLUJFHMKEMR-UHFFFAOYSA-N
Compound name
7-bromo-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

240.97385 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.981126 141.4
[M+Na]+ 263.963068 154.0
[M-H]- 239.966574 148.2
[M+NH4]+ 259.007673 161.5
[M+K]+ 279.937008 144.6
[M+H-H2O]+ 223.971110 141.4
[M+HCOO]- 285.972051 159.1
[M+CH3COO]- 299.987701 188.8
[M+Na-2H]- 261.948516 150.4
[M]+ 240.97330142 160.4
[M]- 240.97439858 160.4
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