CID 18518646

5-bromo-4-chloro-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C8H3BrClNO2
SMILES
C1=CC(=C(C2=C1NC(=O)C2=O)Cl)Br
InChI
InChI=1S/C8H3BrClNO2/c9-3-1-2-4-5(6(3)10)7(12)8(13)11-4/h1-2H,(H,11,12,13)
InChIKey
SQYPIQRCTFADJT-UHFFFAOYSA-N
Compound name
5-bromo-4-chloro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

258.90356 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.91084 143.3
[M+Na]+ 281.89278 159.1
[M-H]- 257.89628 148.9
[M+NH4]+ 276.93738 166.2
[M+K]+ 297.86672 145.5
[M+H-H2O]+ 241.90082 145.0
[M+HCOO]- 303.90176 158.6
[M+CH3COO]- 317.91741 187.1
[M+Na-2H]- 279.87823 149.1
[M]+ 258.90301 163.0
[M]- 258.90411 163.0
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