CID 79017782

7-bromo-2,3,4,5-tetrahydro-1,5-benzoxazepine

Structural Information

Molecular Formula
C9H10BrNO
SMILES
C1CNC2=C(C=CC(=C2)Br)OC1
InChI
InChI=1S/C9H10BrNO/c10-7-2-3-9-8(6-7)11-4-1-5-12-9/h2-3,6,11H,1,4-5H2
InChIKey
RPAGMKIDJZYWFJ-UHFFFAOYSA-N
Compound name
7-bromo-2,3,4,5-tetrahydro-1,5-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

226.99458 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.00186 137.6
[M+Na]+ 249.98380 140.2
[M+NH4]+ 245.02840 142.5
[M+K]+ 265.95774 141.1
[M-H]- 225.98730 139.1
[M+Na-2H]- 247.96925 140.7
[M]+ 226.99403 137.3
[M]- 226.99513 137.3
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