CID 68489089

866767-06-8

Structural Information

Molecular Formula
C8H5BrN2O2
SMILES
C1=CC(=C2C(=C1N)C(=O)NC2=O)Br
InChI
InChI=1S/C8H5BrN2O2/c9-3-1-2-4(10)6-5(3)7(12)11-8(6)13/h1-2H,10H2,(H,11,12,13)
InChIKey
HUAUVOSVRZPBNM-UHFFFAOYSA-N
Compound name
4-amino-7-bromoisoindole-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

239.95345 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.96073 141.9
[M+Na]+ 262.94267 155.5
[M-H]- 238.94617 146.9
[M+NH4]+ 257.98727 163.8
[M+K]+ 278.91661 143.1
[M+H-H2O]+ 222.95071 142.0
[M+HCOO]- 284.95165 161.8
[M+CH3COO]- 298.96730 187.7
[M+Na-2H]- 260.92812 147.3
[M]+ 239.95290 158.0
[M]- 239.95400 158.0
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