CID 265732

12-bromoisoindolo(2,1-b)isoquinoline-5,7-dione

Structural Information

Molecular Formula
C16H8BrNO2
SMILES
C1=CC=C2C(=C1)C3=C(C4=CC=CC=C4C(=O)N3C2=O)Br
InChI
InChI=1S/C16H8BrNO2/c17-13-9-5-1-3-7-11(9)15(19)18-14(13)10-6-2-4-8-12(10)16(18)20/h1-8H
InChIKey
ZNUOZNVJNOCSPZ-UHFFFAOYSA-N
Compound name
12-bromoisoindolo[2,3-b]isoquinoline-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.97385 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.98113 166.2
[M+Na]+ 347.96307 181.6
[M-H]- 323.96657 175.0
[M+NH4]+ 343.00767 188.0
[M+K]+ 363.93701 169.0
[M+H-H2O]+ 307.97111 165.9
[M+HCOO]- 369.97205 185.4
[M+CH3COO]- 383.98770 181.2
[M+Na-2H]- 345.94852 173.6
[M]+ 324.97330 187.6
[M]- 324.97440 187.6
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.