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 174.4
[M+Na]+ 349.06020 183.8
[M-H]- 325.06370 182.3
[M+NH4]+ 344.10480 194.0
[M+K]+ 365.03414 177.7
[M+H-H2O]+ 309.06824 168.6
[M+HCOO]- 371.06918 190.9
[M+CH3COO]- 385.08483 206.9
[M+Na-2H]- 347.04565 175.4
[M]+ 326.07043 178.0
[M]- 326.07153 178.0
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.