CID 18008960

105679-22-9

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1COC2=C(N1)C=CC(=C2)Br
InChI
InChI=1S/C8H8BrNO/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5,10H,3-4H2
InChIKey
JLZUUGCTPRPFKZ-UHFFFAOYSA-N
Compound name
7-bromo-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

143
Patents

212.97893 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.986206 136.8
[M+Na]+ 235.968148 147.5
[M-H]- 211.971654 141.6
[M+NH4]+ 231.012753 156.9
[M+K]+ 251.942088 137.5
[M+H-H2O]+ 195.976190 137.0
[M+HCOO]- 257.977131 153.1
[M+CH3COO]- 271.992781 151.2
[M+Na-2H]- 233.953596 147.1
[M]+ 212.97838142 152.3
[M]- 212.97947858 152.3
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