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]+ 352.921976 172.5
[M+Na]+ 374.903918 180.6
[M-H]- 350.907424 173.2
[M+NH4]+ 369.948523 185.6
[M+K]+ 390.877858 173.9
[M+H-H2O]+ 334.911960 168.0
[M+HCOO]- 396.912901 167.8
[M+CH3COO]- 410.928551 180.3
[M+Na-2H]- 372.889366 172.6
[M]+ 351.91415142 172.5
[M]- 351.91524858 172.5
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.