CID 152801

5-chlorooxindole

Structural Information

Molecular Formula
C8H6ClNO
SMILES
C1C2=C(C=CC(=C2)Cl)NC1=O
InChI
InChI=1S/C8H6ClNO/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4H2,(H,10,11)
InChIKey
WWJLCYHYLZZXBE-UHFFFAOYSA-N
Compound name
5-chloro-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

14
References

11779
Patents

167.0138 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.02108 129.6
[M+Na]+ 190.00302 143.2
[M+NH4]+ 185.04762 139.2
[M+K]+ 205.97696 137.9
[M-H]- 166.00652 131.1
[M+Na-2H]- 187.98847 135.4
[M]+ 167.01325 132.2
[M]- 167.01435 132.2
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