CID 1718647

6-bromo-5-methyl-1h-indole-2,3-dione

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
CC1=CC2=C(C=C1Br)NC(=O)C2=O
InChI
InChI=1S/C9H6BrNO2/c1-4-2-5-7(3-6(4)10)11-9(13)8(5)12/h2-3H,1H3,(H,11,12,13)
InChIKey
DQZFCBOXZKQQPM-UHFFFAOYSA-N
Compound name
6-bromo-5-methyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

29
Patents

238.95819 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.965466 142.1
[M+Na]+ 261.947408 156.4
[M-H]- 237.950914 147.7
[M+NH4]+ 256.992013 164.9
[M+K]+ 277.921348 144.5
[M+H-H2O]+ 221.955450 143.0
[M+HCOO]- 283.956391 161.5
[M+CH3COO]- 297.972041 186.4
[M+Na-2H]- 259.932856 147.7
[M]+ 238.95764142 160.4
[M]- 238.95873858 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

literature stripe

Patent stripe

patents stripe