CID 178005

158076-63-2

Structural Information

Molecular Formula
C12H4Cl6O
SMILES
C1=C(C=C(C(=C1Cl)O)Cl)C2=CC(=C(C(=C2Cl)Cl)Cl)Cl
InChI
InChI=1S/C12H4Cl6O/c13-6-3-5(9(16)11(18)10(6)17)4-1-7(14)12(19)8(15)2-4/h1-3,19H
InChIKey
PZAKBNHYWBSZAF-UHFFFAOYSA-N
Compound name
2,6-dichloro-4-(2,3,4,5-tetrachlorophenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

373.83932 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.846596 172.8
[M+Na]+ 396.828538 183.1
[M-H]- 372.832044 170.9
[M+NH4]+ 391.873143 184.3
[M+K]+ 412.802478 177.7
[M+H-H2O]+ 356.836580 170.1
[M+HCOO]- 418.837521 164.5
[M+CH3COO]- 432.853171 179.8
[M+Na-2H]- 394.813986 169.1
[M]+ 373.83877142 171.6
[M]- 373.83986858 171.6
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.