CID 19840144

1-chloro-3-(2,6-dichlorophenyl)propan-2-one

Structural Information

Molecular Formula
C9H7Cl3O
SMILES
C1=CC(=C(C(=C1)Cl)CC(=O)CCl)Cl
InChI
InChI=1S/C9H7Cl3O/c10-5-6(13)4-7-8(11)2-1-3-9(7)12/h1-3H,4-5H2
InChIKey
DLTURKWIGYRHHQ-UHFFFAOYSA-N
Compound name
1-chloro-3-(2,6-dichlorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

235.95625 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.963526 142.5
[M+Na]+ 258.945468 152.8
[M-H]- 234.948974 144.6
[M+NH4]+ 253.990073 161.8
[M+K]+ 274.919408 146.8
[M+H-H2O]+ 218.953510 139.6
[M+HCOO]- 280.954451 151.3
[M+CH3COO]- 294.970101 189.7
[M+Na-2H]- 256.930916 145.9
[M]+ 235.95570142 146.3
[M]- 235.95679858 146.3
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