CID 57489

7-chlorodioxindole

Structural Information

Molecular Formula
C8H6ClNO2
SMILES
C1=CC2=C(C(=C1)Cl)NC(=O)C2O
InChI
InChI=1S/C8H6ClNO2/c9-5-3-1-2-4-6(5)10-8(12)7(4)11/h1-3,7,11H,(H,10,12)
InChIKey
ZBVPMTYXTHDWJC-UHFFFAOYSA-N
Compound name
7-chloro-3-hydroxy-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

183.00871 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.01599 134.0
[M+Na]+ 205.99793 145.1
[M-H]- 182.00143 135.2
[M+NH4]+ 201.04253 155.4
[M+K]+ 221.97187 139.7
[M+H-H2O]+ 166.00597 129.8
[M+HCOO]- 228.00691 149.7
[M+CH3COO]- 242.02256 174.0
[M+Na-2H]- 203.98338 138.9
[M]+ 183.00816 133.7
[M]- 183.00926 133.7
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.