CID 70846

Clorindione

Structural Information

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

2D Structure

compound 2d structure
5
Annotation Hits

12
References

2144
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

literature stripe

Patent stripe

patents stripe