CID 16786802

6,7-dichloro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C8H3Cl2NO2
SMILES
C1=CC(=C(C2=C1C(=O)C(=O)N2)Cl)Cl
InChI
InChI=1S/C8H3Cl2NO2/c9-4-2-1-3-6(5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
InChIKey
XTXIILHWOQZVAQ-UHFFFAOYSA-N
Compound name
6,7-dichloro-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

22
References

70
Patents

214.95409 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.96137 139.1
[M+Na]+ 237.94331 152.0
[M-H]- 213.94681 141.2
[M+NH4]+ 232.98791 160.4
[M+K]+ 253.91725 145.6
[M+H-H2O]+ 197.95135 135.4
[M+HCOO]- 259.95229 151.3
[M+CH3COO]- 273.96794 181.7
[M+Na-2H]- 235.92876 142.9
[M]+ 214.95354 141.2
[M]- 214.95464 141.2
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