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 173.5
[M+Na]+ 406.89372 182.4
[M-H]- 382.89722 173.1
[M+NH4]+ 401.93832 185.0
[M+K]+ 422.86766 175.9
[M+H-H2O]+ 366.90176 170.8
[M+HCOO]- 428.90270 167.2
[M+CH3COO]- 442.91835 210.9
[M+Na-2H]- 404.87917 172.5
[M]+ 383.90395 173.8
[M]- 383.90505 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.