CID 13089

O,p'-ddt

Structural Information

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

2D Structure

compound 2d structure
6
Annotation Hits

280
References

263
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

literature stripe

Patent stripe

patents stripe