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

131
Patents

212.97893 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.98621 135.8
[M+Na]+ 235.96815 140.0
[M+NH4]+ 231.01275 141.6
[M+K]+ 251.94209 139.7
[M-H]- 211.97165 137.8
[M+Na-2H]- 233.95360 139.1
[M]+ 212.97838 135.8
[M]- 212.97948 135.8
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

patents stripe