CID 3091989

42581-23-7

Structural Information

Molecular Formula
C19H15ClO3
SMILES
CC(=O)CC(C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3C2=O)Cl
InChI
InChI=1S/C19H15ClO3/c1-12(21)11-16(13-7-3-2-4-8-13)19(20)17(22)14-9-5-6-10-15(14)18(19)23/h2-10,16H,11H2,1H3
InChIKey
OWRBRNJMOKYORB-UHFFFAOYSA-N
Compound name
2-chloro-2-(3-oxo-1-phenylbutyl)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

326.07098 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.07826 172.7
[M+Na]+ 349.06020 186.7
[M+NH4]+ 344.10480 182.4
[M+K]+ 365.03414 178.8
[M-H]- 325.06370 176.2
[M+Na-2H]- 347.04565 180.4
[M]+ 326.07043 176.1
[M]- 326.07153 176.1
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.