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 172.5
[M+Na]+ 374.90392 180.6
[M-H]- 350.90742 173.2
[M+NH4]+ 369.94852 185.6
[M+K]+ 390.87786 173.9
[M+H-H2O]+ 334.91196 168.0
[M+HCOO]- 396.91290 167.8
[M+CH3COO]- 410.92855 180.3
[M+Na-2H]- 372.88937 172.6
[M]+ 351.91415 172.5
[M]- 351.91525 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.