CID 3838751

42581-24-8

Structural Information

Molecular Formula
C20H17ClO3
SMILES
CCC(=O)CC(C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)Cl
InChI
InChI=1S/C20H17ClO3/c1-2-14(22)12-17(13-8-4-3-5-9-13)20(21)18(23)15-10-6-7-11-16(15)19(20)24/h3-11,17H,2,12H2,1H3
InChIKey
FYFOQYSCXOKLBW-UHFFFAOYSA-N
Compound name
2-chloro-2-(3-oxo-1-phenylpentyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

340.0866 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.09388 179.1
[M+Na]+ 363.07582 188.0
[M-H]- 339.07932 186.8
[M+NH4]+ 358.12042 198.1
[M+K]+ 379.04976 181.7
[M+H-H2O]+ 323.08386 173.1
[M+HCOO]- 385.08480 195.2
[M+CH3COO]- 399.10045 209.8
[M+Na-2H]- 361.06127 179.6
[M]+ 340.08605 183.1
[M]- 340.08715 183.1
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

No patent data available for this compound.