CID 611621

108938-16-5

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
CC1=CC2=C(C(=C1)Br)NC(=O)C2=O
InChI
InChI=1S/C9H6BrNO2/c1-4-2-5-7(6(10)3-4)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
InChIKey
NPDJRIGMWAQKTQ-UHFFFAOYSA-N
Compound name
7-bromo-5-methyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

15
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 145.7
[M+Na]+ 261.94741 148.8
[M+NH4]+ 256.99201 150.1
[M+K]+ 277.92135 150.5
[M-H]- 237.95091 145.0
[M+Na-2H]- 259.93286 146.6
[M]+ 238.95764 144.6
[M]- 238.95874 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe