CID 542843

5-bromo-7-methyl-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
CC1=CC(=CC2=C1NC(=O)C2=O)Br
InChI
InChI=1S/C9H6BrNO2/c1-4-2-5(10)3-6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
InChIKey
NPRAKNSGKOICIE-UHFFFAOYSA-N
Compound name
5-bromo-7-methyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

75
Patents

238.95819 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.96547 142.1
[M+Na]+ 261.94741 156.4
[M-H]- 237.95091 147.7
[M+NH4]+ 256.99201 164.9
[M+K]+ 277.92135 144.5
[M+H-H2O]+ 221.95545 143.0
[M+HCOO]- 283.95639 161.5
[M+CH3COO]- 297.97204 186.4
[M+Na-2H]- 259.93286 147.7
[M]+ 238.95764 160.4
[M]- 238.95874 160.4
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