CID 88196

1-propene, 3,3-bis(p-chlorophenyl)-1,1,2-trichloro-

Structural Information

Molecular Formula
C15H9Cl5
SMILES
C1=CC(=CC=C1C(C2=CC=C(C=C2)Cl)C(=C(Cl)Cl)Cl)Cl
InChI
InChI=1S/C15H9Cl5/c16-11-5-1-9(2-6-11)13(14(18)15(19)20)10-3-7-12(17)8-4-10/h1-8,13H
InChIKey
GIOLCFQEOSBDPL-UHFFFAOYSA-N
Compound name
1-chloro-4-[2,3,3-trichloro-1-(4-chlorophenyl)prop-2-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.9147 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.92198 171.8
[M+Na]+ 386.90392 179.1
[M-H]- 362.90742 172.3
[M+NH4]+ 381.94852 184.3
[M+K]+ 402.87786 172.0
[M+H-H2O]+ 346.91196 167.6
[M+HCOO]- 408.91290 167.0
[M+CH3COO]- 422.92855 179.2
[M+Na-2H]- 384.88937 169.3
[M]+ 363.91415 171.3
[M]- 363.91525 171.3
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.