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
1
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]+ 384.91178 186.7
[M+Na]+ 406.89372 201.2
[M+NH4]+ 401.93832 193.9
[M+K]+ 422.86766 192.7
[M-H]- 382.89722 188.1
[M+Na-2H]- 404.87917 192.3
[M]+ 383.90395 190.6
[M]- 383.90505 190.6
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.