CID 121117

1,3-indandione, 5-chloro-2-phenyl-

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

256.0291 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.036376 154.4
[M+Na]+ 279.018318 166.0
[M-H]- 255.021824 162.8
[M+NH4]+ 274.062923 175.4
[M+K]+ 294.992258 159.6
[M+H-H2O]+ 239.026360 148.8
[M+HCOO]- 301.027301 173.8
[M+CH3COO]- 315.042951 168.4
[M+Na-2H]- 277.003766 157.9
[M]+ 256.02855142 157.2
[M]- 256.02964858 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

patents stripe