CID 479941

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

Structural Information

Molecular Formula
C18H8Cl6O3
SMILES
C1=CC(=C(C=C1Cl)Cl)OC2=CC(=C(C(=C2Cl)O)Cl)OC3=CC(=CC(=C3)Cl)Cl
InChI
InChI=1S/C18H8Cl6O3/c19-8-1-2-13(12(22)6-8)27-15-7-14(16(23)18(25)17(15)24)26-11-4-9(20)3-10(21)5-11/h1-7,25H
InChIKey
IENYNCOJAOSVHQ-UHFFFAOYSA-N
Compound name
2,6-dichloro-3-(2,4-dichlorophenoxy)-5-(3,5-dichlorophenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

481.86047 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.86775 194.3
[M+Na]+ 504.84969 204.3
[M-H]- 480.85319 195.2
[M+NH4]+ 499.89429 202.3
[M+K]+ 520.82363 199.8
[M+H-H2O]+ 464.85773 189.4
[M+HCOO]- 526.85867 186.2
[M+CH3COO]- 540.87432 200.3
[M+Na-2H]- 502.83514 189.9
[M]+ 481.85992 197.0
[M]- 481.86102 197.0
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.