CID 3069301

5-(3,4-dichlorophenyl)-6,8-dioxa-3-azabicyclo(3.2.1)octane hydrochloride

Structural Information

Molecular Formula
C11H11Cl2NO2
SMILES
C1C2COC(O2)(CN1)C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C11H11Cl2NO2/c12-9-2-1-7(3-10(9)13)11-6-14-4-8(16-11)5-15-11/h1-3,8,14H,4-6H2
InChIKey
SYVZBDCSOLBONJ-UHFFFAOYSA-N
Compound name
5-(3,4-dichlorophenyl)-6,8-dioxa-3-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.0167 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.02398 152.9
[M+Na]+ 282.00592 162.1
[M-H]- 258.00942 156.6
[M+NH4]+ 277.05052 171.6
[M+K]+ 297.97986 158.2
[M+H-H2O]+ 242.01396 147.9
[M+HCOO]- 304.01490 158.9
[M+CH3COO]- 318.03055 164.5
[M+Na-2H]- 279.99137 158.9
[M]+ 259.01615 153.6
[M]- 259.01725 153.6
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.