CID 441118

2,3-dihydroxy-ddt

Structural Information

Molecular Formula
C14H9Cl5O2
SMILES
C1=CC(=CC=C1C(C2=C(C(=C(C=C2)Cl)O)O)C(Cl)(Cl)Cl)Cl
InChI
InChI=1S/C14H9Cl5O2/c15-8-3-1-7(2-4-8)11(14(17,18)19)9-5-6-10(16)13(21)12(9)20/h1-6,11,20-21H
InChIKey
WCDSWTZUKCXFRE-UHFFFAOYSA-N
Compound name
3-chloro-6-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

0
Patents

383.9045 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.911776 173.5
[M+Na]+ 406.893718 182.4
[M-H]- 382.897224 173.1
[M+NH4]+ 401.938323 185.0
[M+K]+ 422.867658 175.9
[M+H-H2O]+ 366.901760 170.8
[M+HCOO]- 428.902701 167.2
[M+CH3COO]- 442.918351 210.9
[M+Na-2H]- 404.879166 172.5
[M]+ 383.90395142 173.8
[M]- 383.90504858 173.8
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.