CID 366641

Nsc635316

Structural Information

Molecular Formula
C16H12ClNO3
SMILES
C1=CC=C(C=C1)C(=O)CC2(C3=C(C(=CC=C3)Cl)NC2=O)O
InChI
InChI=1S/C16H12ClNO3/c17-12-8-4-7-11-14(12)18-15(20)16(11,21)9-13(19)10-5-2-1-3-6-10/h1-8,21H,9H2,(H,18,20)
InChIKey
FUMGGMHJSMQEHX-UHFFFAOYSA-N
Compound name
7-chloro-3-hydroxy-3-phenacyl-1H-indol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.05057 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.05785 166.1
[M+Na]+ 324.03979 176.0
[M-H]- 300.04329 170.4
[M+NH4]+ 319.08439 184.2
[M+K]+ 340.01373 168.9
[M+H-H2O]+ 284.04783 160.1
[M+HCOO]- 346.04877 180.1
[M+CH3COO]- 360.06442 177.5
[M+Na-2H]- 322.02524 169.2
[M]+ 301.05002 166.9
[M]- 301.05112 166.9
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.