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]+ 242.017496 141.3
[M+Na]+ 263.999438 150.5
[M-H]- 240.002944 147.3
[M+NH4]+ 259.044043 159.4
[M+K]+ 279.973378 144.3
[M+H-H2O]+ 224.007480 141.8
[M+HCOO]- 286.008421 156.6
[M+CH3COO]- 300.024071 154.8
[M+Na-2H]- 261.984886 149.5
[M]+ 241.00967142 154.0
[M]- 241.01076858 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.