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

38
Patents

240.97385 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.98113 141.4
[M+Na]+ 263.96307 154.0
[M-H]- 239.96657 148.2
[M+NH4]+ 259.00767 161.5
[M+K]+ 279.93701 144.6
[M+H-H2O]+ 223.97111 141.4
[M+HCOO]- 285.97205 159.1
[M+CH3COO]- 299.98770 188.8
[M+Na-2H]- 261.94852 150.4
[M]+ 240.97330 160.4
[M]- 240.97440 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