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 154.4
[M+Na]+ 279.01832 166.0
[M-H]- 255.02182 162.8
[M+NH4]+ 274.06292 175.4
[M+K]+ 294.99226 159.6
[M+H-H2O]+ 239.02636 148.8
[M+HCOO]- 301.02730 173.8
[M+CH3COO]- 315.04295 168.4
[M+Na-2H]- 277.00377 157.9
[M]+ 256.02855 157.2
[M]- 256.02965 157.2
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.