CID 20328

M,p'-ddt

Structural Information

Molecular Formula
C14H9Cl5
SMILES
C1=CC(=CC(=C1)Cl)C(C2=CC=C(C=C2)Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H9Cl5/c15-11-6-4-9(5-7-11)13(14(17,18)19)10-2-1-3-12(16)8-10/h1-8,13H
InChIKey
LMNGXUAFBMMCLT-UHFFFAOYSA-N
Compound name
1-chloro-3-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.9147 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.92198 183.2
[M+Na]+ 374.90392 198.8
[M+NH4]+ 369.94852 191.8
[M+K]+ 390.87786 188.5
[M-H]- 350.90742 186.0
[M+Na-2H]- 372.88937 190.7
[M]+ 351.91415 187.8
[M]- 351.91525 187.8
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.