CID 16244452

625394-65-2

Structural Information

Molecular Formula
C8H8BrNO
SMILES
C1COC2=C(N1)C=CC=C2Br
InChI
InChI=1S/C8H8BrNO/c9-6-2-1-3-7-8(6)11-5-4-10-7/h1-3,10H,4-5H2
InChIKey
NUVCHIRBNLDKJQ-UHFFFAOYSA-N
Compound name
8-bromo-3,4-dihydro-2H-1,4-benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

133
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