CID 130938690

1-chloro-3-(3,5-dichlorophenyl)propan-2-one

Structural Information

Molecular Formula
C9H7Cl3O
SMILES
C1=C(C=C(C=C1Cl)Cl)CC(=O)CCl
InChI
InChI=1S/C9H7Cl3O/c10-5-9(13)3-6-1-7(11)4-8(12)2-6/h1-2,4H,3,5H2
InChIKey
VBLUUYYCNBFWHS-UHFFFAOYSA-N
Compound name
1-chloro-3-(3,5-dichlorophenyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.95625 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.96353 142.5
[M+Na]+ 258.94547 152.8
[M-H]- 234.94897 144.6
[M+NH4]+ 253.99007 161.8
[M+K]+ 274.91941 146.8
[M+H-H2O]+ 218.95351 139.6
[M+HCOO]- 280.95445 151.3
[M+CH3COO]- 294.97010 189.7
[M+Na-2H]- 256.93092 145.9
[M]+ 235.95570 146.3
[M]- 235.95680 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

No patent data available for this compound.