CID 134704

4,5-dichloro-2-(2,3,5,6-tetrachlorophenoxy)phenol

Structural Information

Molecular Formula
C12H4Cl6O2
SMILES
C1=C(C(=CC(=C1Cl)Cl)OC2=C(C(=CC(=C2Cl)Cl)Cl)Cl)O
InChI
InChI=1S/C12H4Cl6O2/c13-4-2-8(19)9(3-5(4)14)20-12-10(17)6(15)1-7(16)11(12)18/h1-3,19H
InChIKey
LHZQBSHJSSXDQI-UHFFFAOYSA-N
Compound name
4,5-dichloro-2-(2,3,5,6-tetrachlorophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

389.83426 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.84154 174.3
[M+Na]+ 412.82348 184.6
[M-H]- 388.82698 172.7
[M+NH4]+ 407.86808 185.4
[M+K]+ 428.79742 179.8
[M+H-H2O]+ 372.83152 171.7
[M+HCOO]- 434.83246 166.4
[M+CH3COO]- 448.84811 181.3
[M+Na-2H]- 410.80893 170.8
[M]+ 389.83371 174.5
[M]- 389.83481 174.5
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.