CID 2736071

1-(3,5-dichlorophenyl)propane-1,2-dione

Structural Information

Molecular Formula
C9H6Cl2O2
SMILES
CC(=O)C(=O)C1=CC(=CC(=C1)Cl)Cl
InChI
InChI=1S/C9H6Cl2O2/c1-5(12)9(13)6-2-7(10)4-8(11)3-6/h2-4H,1H3
InChIKey
WWMMJQWHEMLODX-UHFFFAOYSA-N
Compound name
1-(3,5-dichlorophenyl)propane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

215.97449 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98177 139.2
[M+Na]+ 238.96371 153.7
[M+NH4]+ 234.00831 147.8
[M+K]+ 254.93765 147.0
[M-H]- 214.96721 140.6
[M+Na-2H]- 236.94916 145.8
[M]+ 215.97394 142.2
[M]- 215.97504 142.2
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