CID 93224

40703-79-5

Structural Information

Molecular Formula
C15H13Br2NO2
SMILES
C1C2C3C(C1C(C2Br)Br)C(=O)N(C3=O)C4=CC=CC=C4
InChI
InChI=1S/C15H13Br2NO2/c16-12-8-6-9(13(12)17)11-10(8)14(19)18(15(11)20)7-4-2-1-3-5-7/h1-5,8-13H,6H2
InChIKey
JNUMSHAQCAUPTM-UHFFFAOYSA-N
Compound name
8,9-dibromo-4-phenyl-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

396.9313 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.93858 177.1
[M+Na]+ 419.92052 189.0
[M-H]- 395.92402 186.4
[M+NH4]+ 414.96512 198.7
[M+K]+ 435.89446 175.1
[M+H-H2O]+ 379.92856 186.8
[M+HCOO]- 441.92950 190.0
[M+CH3COO]- 455.94515 190.0
[M+Na-2H]- 417.90597 176.6
[M]+ 396.93075 210.2
[M]- 396.93185 210.2
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

patents stripe