CID 93224

4,7-methano-1h-isoindole-1,3(2h)-dione, 5,6-dibromohexahydro-2-phenyl-

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
3
Annotation Hits

0
References

4
Patents

396.9313 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.938576 177.1
[M+Na]+ 419.920518 189.0
[M-H]- 395.924024 186.4
[M+NH4]+ 414.965123 198.7
[M+K]+ 435.894458 175.1
[M+H-H2O]+ 379.928560 186.8
[M+HCOO]- 441.929501 190.0
[M+CH3COO]- 455.945151 190.0
[M+Na-2H]- 417.905966 176.6
[M]+ 396.93075142 210.2
[M]- 396.93184858 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