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]+ 318.96095 169.9
[M+Na]+ 340.94289 186.6
[M+NH4]+ 335.98749 179.6
[M+K]+ 356.91683 176.3
[M-H]- 316.94639 174.2
[M+Na-2H]- 338.92834 178.8
[M]+ 317.95312 174.9
[M]- 317.95422 174.9
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.