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]+ 197.99526 135.3
[M+Na]+ 219.97720 147.5
[M-H]- 195.98070 136.9
[M+NH4]+ 215.02180 156.3
[M+K]+ 235.95114 142.1
[M+H-H2O]+ 179.98524 131.4
[M+HCOO]- 241.98618 151.5
[M+CH3COO]- 256.00183 176.6
[M+Na-2H]- 217.96265 139.6
[M]+ 196.98743 136.2
[M]- 196.98853 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.