CID 132263367

6-chloro-5-ethylindolin-2-one

Structural Information

Molecular Formula
C10H10ClNO
SMILES
CCC1=C(C=C2C(=C1)CC(=O)N2)Cl
InChI
InChI=1S/C10H10ClNO/c1-2-6-3-7-4-10(13)12-9(7)5-8(6)11/h3,5H,2,4H2,1H3,(H,12,13)
InChIKey
LRZAPTDENMVNNW-UHFFFAOYSA-N
Compound name
6-chloro-5-ethyl-1,3-dihydroindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

195.04509 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.05237 140.1
[M+Na]+ 218.03431 150.9
[M-H]- 194.03781 142.3
[M+NH4]+ 213.07891 161.9
[M+K]+ 234.00825 145.3
[M+H-H2O]+ 178.04235 135.3
[M+HCOO]- 240.04329 156.5
[M+CH3COO]- 254.05894 180.5
[M+Na-2H]- 216.01976 144.3
[M]+ 195.04454 140.9
[M]- 195.04564 140.9
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.