CID 3857832

150000-18-3

Structural Information

Molecular Formula
C15H12BrNO2
SMILES
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC(=CC=C4)Br
InChI
InChI=1S/C15H12BrNO2/c16-10-2-1-3-11(7-10)17-14(18)12-8-4-5-9(6-8)13(12)15(17)19/h1-5,7-9,12-13H,6H2
InChIKey
UCSQPCJPUUPAPF-UHFFFAOYSA-N
Compound name
4-(3-bromophenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.00513 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.01241 175.2
[M+Na]+ 339.99435 176.8
[M+NH4]+ 335.03895 180.4
[M+K]+ 355.96829 180.3
[M-H]- 315.99785 175.5
[M+Na-2H]- 337.97980 173.3
[M]+ 317.00458 174.1
[M]- 317.00568 174.1
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.