CID 304992

52559-36-1

Structural Information

Molecular Formula
C12H6BrNO2
SMILES
C1=CC2=C(C=CC3=C2C(=C1)C(=O)NC3=O)Br
InChI
InChI=1S/C12H6BrNO2/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(15)14-12(8)16/h1-5H,(H,14,15,16)
InChIKey
APBIDAXJCGEEIS-UHFFFAOYSA-N
Compound name
6-bromobenzo[de]isoquinoline-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

247
Patents

274.9582 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.96548 150.4
[M+Na]+ 297.94742 163.2
[M-H]- 273.95092 155.5
[M+NH4]+ 292.99202 170.8
[M+K]+ 313.92136 150.8
[M+H-H2O]+ 257.95546 150.2
[M+HCOO]- 319.95640 166.4
[M+CH3COO]- 333.97205 164.5
[M+Na-2H]- 295.93287 159.1
[M]+ 274.95765 168.1
[M]- 274.95875 168.1
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.