CID 10609474

6-chloro-5-(2-chloroethyl)indolin-2-one

Structural Information

Molecular Formula
C10H9Cl2NO
SMILES
C1C2=CC(=C(C=C2NC1=O)Cl)CCCl
InChI
InChI=1S/C10H9Cl2NO/c11-2-1-6-3-7-4-10(14)13-9(7)5-8(6)12/h3,5H,1-2,4H2,(H,13,14)
InChIKey
ZTQQXEPZEYIVDK-UHFFFAOYSA-N
Compound name
6-chloro-5-(2-chloroethyl)-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

216
Patents

229.00612 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.01340 147.1
[M+Na]+ 251.99534 158.1
[M-H]- 227.99884 148.4
[M+NH4]+ 247.03994 167.7
[M+K]+ 267.96928 151.2
[M+H-H2O]+ 212.00338 142.6
[M+HCOO]- 274.00432 158.2
[M+CH3COO]- 288.01997 185.2
[M+Na-2H]- 249.98079 150.3
[M]+ 229.00557 148.7
[M]- 229.00667 148.7
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