CID 138006574

2241139-09-1

Structural Information

Molecular Formula
C9H10BrNO2
SMILES
C1COC2=C(C(=CC(=C2)N)Br)OC1
InChI
InChI=1S/C9H10BrNO2/c10-7-4-6(11)5-8-9(7)13-3-1-2-12-8/h4-5H,1-3,11H2
InChIKey
ZIKARQKCWKZWAC-UHFFFAOYSA-N
Compound name
6-bromo-3,4-dihydro-2H-1,5-benzodioxepin-8-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.98949 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99677 142.0
[M+Na]+ 265.97871 150.8
[M-H]- 241.98221 150.6
[M+NH4]+ 261.02331 160.0
[M+K]+ 281.95265 146.7
[M+H-H2O]+ 225.98675 142.4
[M+HCOO]- 287.98769 159.5
[M+CH3COO]- 302.00334 156.1
[M+Na-2H]- 263.96416 150.9
[M]+ 242.98894 155.7
[M]- 242.99004 155.7
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.