CID 24721366

4-bromo-7-methylisatin

Structural Information

Molecular Formula
C9H6BrNO2
SMILES
CC1=C2C(=C(C=C1)Br)C(=O)C(=O)N2
InChI
InChI=1S/C9H6BrNO2/c1-4-2-3-5(10)6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)
InChIKey
VYPAAYCDBZXFOI-UHFFFAOYSA-N
Compound name
4-bromo-7-methyl-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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

No literature data available for this compound.

Patent stripe

patents stripe