CID 3730946

5-(2-chloroacetyl)-6-chlorooxindole

Structural Information

Molecular Formula
C10H7Cl2NO2
SMILES
C1C2=CC(=C(C=C2NC1=O)Cl)C(=O)CCl
InChI
InChI=1S/C10H7Cl2NO2/c11-4-9(14)6-1-5-2-10(15)13-8(5)3-7(6)12/h1,3H,2,4H2,(H,13,15)
InChIKey
LWWVMDRRHHCTMZ-UHFFFAOYSA-N
Compound name
6-chloro-5-(2-chloroacetyl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

108
Patents

242.98538 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.99266 148.3
[M+Na]+ 265.97460 159.2
[M-H]- 241.97810 149.9
[M+NH4]+ 261.01920 168.2
[M+K]+ 281.94854 152.8
[M+H-H2O]+ 225.98264 144.1
[M+HCOO]- 287.98358 158.9
[M+CH3COO]- 301.99923 187.3
[M+Na-2H]- 263.96005 150.6
[M]+ 242.98483 150.2
[M]- 242.98593 150.2
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

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