CID 9995861

4-[2-(benzoyloxy)ethyl]-3-chloro-1,3-dihydro-2h-indol-2-one

Structural Information

Molecular Formula
C17H14ClNO3
SMILES
C1=CC=C(C=C1)C(=O)OCCC2=C3C(C(=O)NC3=CC=C2)Cl
InChI
InChI=1S/C17H14ClNO3/c18-15-14-11(7-4-8-13(14)19-16(15)20)9-10-22-17(21)12-5-2-1-3-6-12/h1-8,15H,9-10H2,(H,19,20)
InChIKey
QXZUSCSOBQPDPX-UHFFFAOYSA-N
Compound name
2-(3-chloro-2-oxo-1,3-dihydroindol-4-yl)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

315.06622 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.073496 171.2
[M+Na]+ 338.055438 180.0
[M-H]- 314.058944 176.2
[M+NH4]+ 333.100043 187.3
[M+K]+ 354.029378 173.4
[M+H-H2O]+ 298.063480 164.1
[M+HCOO]- 360.064421 186.2
[M+CH3COO]- 374.080071 200.9
[M+Na-2H]- 336.040886 172.8
[M]+ 315.06567142 173.6
[M]- 315.06676858 173.6
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