CID 130562993

7-bromo-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine hydrochloride

Structural Information

Molecular Formula
C10H12BrNO2
SMILES
COC1=CC(=CC2=C1OCCNC2)Br
InChI
InChI=1S/C10H12BrNO2/c1-13-9-5-8(11)4-7-6-12-2-3-14-10(7)9/h4-5,12H,2-3,6H2,1H3
InChIKey
GZIIZYWSSQHVQA-UHFFFAOYSA-N
Compound name
7-bromo-9-methoxy-2,3,4,5-tetrahydro-1,4-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.00513 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.01241 143.8
[M+Na]+ 279.99435 152.8
[M-H]- 255.99785 149.7
[M+NH4]+ 275.03895 161.3
[M+K]+ 295.96829 147.3
[M+H-H2O]+ 240.00239 144.0
[M+HCOO]- 302.00333 159.2
[M+CH3COO]- 316.01898 157.2
[M+Na-2H]- 277.97980 152.0
[M]+ 257.00458 157.7
[M]- 257.00568 157.7
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

No patent data available for this compound.