CID 121510

4-chloro-2-phenyl-1h-indene-1,3(2h)-dione

Structural Information

Molecular Formula
C15H9ClO2
SMILES
C1=CC=C(C=C1)C2C(=O)C3=C(C2=O)C(=CC=C3)Cl
InChI
InChI=1S/C15H9ClO2/c16-11-8-4-7-10-13(11)15(18)12(14(10)17)9-5-2-1-3-6-9/h1-8,12H
InChIKey
LSZUITLNNBYFLI-UHFFFAOYSA-N
Compound name
4-chloro-2-phenylindene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.0291 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.03638 152.9
[M+Na]+ 279.01832 169.3
[M+NH4]+ 274.06292 163.0
[M+K]+ 294.99226 162.0
[M-H]- 255.02182 157.9
[M+Na-2H]- 277.00377 161.2
[M]+ 256.02855 157.1
[M]- 256.02965 157.1
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.