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 162.6
[M+Na]+ 340.94289 171.2
[M-H]- 316.94639 165.4
[M+NH4]+ 335.98749 177.8
[M+K]+ 356.91683 164.0
[M+H-H2O]+ 300.95093 158.2
[M+HCOO]- 362.95187 164.3
[M+CH3COO]- 376.96752 172.4
[M+Na-2H]- 338.92834 163.3
[M]+ 317.95312 164.5
[M]- 317.95422 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.