CID 50226

Einecs 271-930-4

Structural Information

Molecular Formula
C14H8Cl6
SMILES
C1=CC(=CC(=C1)Cl)C(C2=CC(=CC=C2)Cl)(C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C14H8Cl6/c15-11-5-1-3-9(7-11)13(17,14(18,19)20)10-4-2-6-12(16)8-10/h1-8H
InChIKey
ICPHWKKRDMBTDV-UHFFFAOYSA-N
Compound name
1-chloro-3-[1,2,2,2-tetrachloro-1-(3-chlorophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.8757 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.882976 184.5
[M+Na]+ 408.864918 191.6
[M-H]- 384.868424 182.9
[M+NH4]+ 403.909523 195.1
[M+K]+ 424.838858 185.9
[M+H-H2O]+ 368.872960 179.5
[M+HCOO]- 430.873901 173.7
[M+CH3COO]- 444.889551 215.2
[M+Na-2H]- 406.850366 183.5
[M]+ 385.87515142 181.8
[M]- 385.87624858 181.8
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.