CID 65813890

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

Structural Information

Molecular Formula
C10H12BrNO
SMILES
CC1=CC2=C(C(=C1)Br)OCCNC2
InChI
InChI=1S/C10H12BrNO/c1-7-4-8-6-12-2-3-13-10(8)9(11)5-7/h4-5,12H,2-3,6H2,1H3
InChIKey
INXZVVJOUSMDTN-UHFFFAOYSA-N
Compound name
9-bromo-7-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.01022 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.01750 141.3
[M+Na]+ 263.99944 150.5
[M-H]- 240.00294 147.3
[M+NH4]+ 259.04404 159.4
[M+K]+ 279.97338 144.3
[M+H-H2O]+ 224.00748 141.8
[M+HCOO]- 286.00842 156.6
[M+CH3COO]- 300.02407 154.8
[M+Na-2H]- 261.98489 149.5
[M]+ 241.00967 154.0
[M]- 241.01077 154.0
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.