CID 4435492

1,2-bis(4-chlorophenyl)-1,2-dichloroethane

Structural Information

Molecular Formula
C14H10Cl4
SMILES
C1=CC(=CC=C1C(C(C2=CC=C(C=C2)Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(17)14(18)10-3-7-12(16)8-4-10/h1-8,13-14H
InChIKey
OUHUPMPOUGTPGF-UHFFFAOYSA-N
Compound name
1-chloro-4-[1,2-dichloro-2-(4-chlorophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.95367 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.960946 162.6
[M+Na]+ 340.942888 171.2
[M-H]- 316.946394 165.4
[M+NH4]+ 335.987493 177.8
[M+K]+ 356.916828 164.0
[M+H-H2O]+ 300.950930 158.2
[M+HCOO]- 362.951871 164.3
[M+CH3COO]- 376.967521 172.4
[M+Na-2H]- 338.928336 163.3
[M]+ 317.95312142 164.5
[M]- 317.95421858 164.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.