CID 154814242

1-(4-bromophenyl)-2-oxa-4-azabicyclo[3.1.1]heptan-3-one

Structural Information

Molecular Formula
C11H10BrNO2
SMILES
C1C2CC1(OC(=O)N2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C11H10BrNO2/c12-8-3-1-7(2-4-8)11-5-9(6-11)13-10(14)15-11/h1-4,9H,5-6H2,(H,13,14)
InChIKey
SBQXUHJEADIRBZ-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-2-oxa-4-azabicyclo[3.1.1]heptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.9895 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99678 147.5
[M+Na]+ 289.97872 156.7
[M-H]- 265.98222 150.8
[M+NH4]+ 285.02332 164.3
[M+K]+ 305.95266 150.5
[M+H-H2O]+ 249.98676 143.9
[M+HCOO]- 311.98770 157.7
[M+CH3COO]- 326.00335 160.1
[M+Na-2H]- 287.96417 160.3
[M]+ 266.98895 175.0
[M]- 266.99005 175.0
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.