CID 9995861

139122-17-1

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
1
Annotation Hits

0
References

8
Patents

315.06622 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.07350 170.3
[M+Na]+ 338.05544 184.2
[M+NH4]+ 333.10004 178.1
[M+K]+ 354.02938 178.2
[M-H]- 314.05894 173.1
[M+Na-2H]- 336.04089 176.3
[M]+ 315.06567 173.3
[M]- 315.06677 173.3
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