CID 123467

2',4'-dichloropropiophenone

Structural Information

Molecular Formula
C9H8Cl2O
SMILES
CCC(=O)C1=C(C=C(C=C1)Cl)Cl
InChI
InChI=1S/C9H8Cl2O/c1-2-9(12)7-4-3-6(10)5-8(7)11/h3-5H,2H2,1H3
InChIKey
FBMTWRZQBRHOPF-UHFFFAOYSA-N
Compound name
1-(2,4-dichlorophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

198
Patents

201.99522 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.002496 136.1
[M+Na]+ 224.984438 146.6
[M-H]- 200.987944 139.6
[M+NH4]+ 220.029043 157.0
[M+K]+ 240.958378 141.6
[M+H-H2O]+ 184.992480 132.7
[M+HCOO]- 246.993421 150.5
[M+CH3COO]- 261.009071 184.2
[M+Na-2H]- 222.969886 140.7
[M]+ 201.99467142 139.9
[M]- 201.99576858 139.9
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