CID 123467

37885-41-9

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

168
Patents

201.99522 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.00250 137.2
[M+Na]+ 224.98444 152.5
[M+NH4]+ 220.02904 146.8
[M+K]+ 240.95838 144.6
[M-H]- 200.98794 139.7
[M+Na-2H]- 222.96989 144.8
[M]+ 201.99467 140.8
[M]- 201.99577 140.8
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