CID 441114

3-chloro-6-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene-1,2-diol

Structural Information

Molecular Formula
C14H8Cl4O2
SMILES
C1=CC(=CC=C1C(=C(Cl)Cl)C2=C(C(=C(C=C2)Cl)O)O)Cl
InChI
InChI=1S/C14H8Cl4O2/c15-8-3-1-7(2-4-8)11(14(17)18)9-5-6-10(16)13(20)12(9)19/h1-6,19-20H
InChIKey
FLLUEFJGXSALFO-UHFFFAOYSA-N
Compound name
3-chloro-6-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.92783 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.935106 164.7
[M+Na]+ 370.917048 174.4
[M-H]- 346.920554 166.1
[M+NH4]+ 365.961653 178.1
[M+K]+ 386.890988 166.8
[M+H-H2O]+ 330.925090 161.8
[M+HCOO]- 392.926031 164.6
[M+CH3COO]- 406.941681 204.9
[M+Na-2H]- 368.902496 163.7
[M]+ 347.92728142 166.1
[M]- 347.92837858 166.1
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.