CID 119083108

5-chloro-6-hydroxy-2,3-dihydro-1h-indole-2,3-dione

Structural Information

Molecular Formula
C8H4ClNO3
SMILES
C1=C2C(=CC(=C1Cl)O)NC(=O)C2=O
InChI
InChI=1S/C8H4ClNO3/c9-4-1-3-5(2-6(4)11)10-8(13)7(3)12/h1-2,11H,(H,10,12,13)
InChIKey
WUBUDHMLLNMEJS-UHFFFAOYSA-N
Compound name
5-chloro-6-hydroxy-1H-indole-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.98798 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.995256 135.3
[M+Na]+ 219.977198 147.5
[M-H]- 195.980704 136.9
[M+NH4]+ 215.021803 156.3
[M+K]+ 235.951138 142.1
[M+H-H2O]+ 179.985240 131.4
[M+HCOO]- 241.986181 151.5
[M+CH3COO]- 256.001831 176.6
[M+Na-2H]- 217.962646 139.6
[M]+ 196.98743142 136.2
[M]- 196.98852858 136.2
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

No patent data available for this compound.