CID 19796921

68631-02-7

Structural Information

Molecular Formula
C14H8Cl6
SMILES
C1=CC=C(C(=C1)C(C2=CC=CC=C2Cl)(C(Cl)(Cl)Cl)Cl)Cl
InChI
InChI=1S/C14H8Cl6/c15-11-7-3-1-5-9(11)13(17,14(18,19)20)10-6-2-4-8-12(10)16/h1-8H
InChIKey
GPYBXJIOGFTXRX-UHFFFAOYSA-N
Compound name
1-chloro-2-[1,2,2,2-tetrachloro-1-(2-chlorophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

385.8757 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.88298 184.5
[M+Na]+ 408.86492 191.6
[M-H]- 384.86842 182.9
[M+NH4]+ 403.90952 195.1
[M+K]+ 424.83886 185.9
[M+H-H2O]+ 368.87296 179.5
[M+HCOO]- 430.87390 173.7
[M+CH3COO]- 444.88955 215.2
[M+Na-2H]- 406.85037 183.5
[M]+ 385.87515 181.8
[M]- 385.87625 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

patents stripe