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]+ 348.93511 164.7
[M+Na]+ 370.91705 174.4
[M-H]- 346.92055 166.1
[M+NH4]+ 365.96165 178.1
[M+K]+ 386.89099 166.8
[M+H-H2O]+ 330.92509 161.8
[M+HCOO]- 392.92603 164.6
[M+CH3COO]- 406.94168 204.9
[M+Na-2H]- 368.90250 163.7
[M]+ 347.92728 166.1
[M]- 347.92838 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.