CID 87732

Phenol, 2,2'-oxybis(tetrachloro-

Structural Information

Molecular Formula
C12H2Cl8O3
SMILES
C1(=C(C(=C(C(=C1Cl)Cl)Cl)Cl)OC2=C(C(=C(C(=C2Cl)Cl)Cl)Cl)O)O
InChI
InChI=1S/C12H2Cl8O3/c13-1-3(15)7(19)11(9(21)5(1)17)23-12-8(20)4(16)2(14)6(18)10(12)22/h21-22H
InChIKey
TUPJYILGMDGWKP-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrachloro-6-(2,3,4,5-tetrachloro-6-hydroxyphenoxy)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.75122 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.75850 192.4
[M+Na]+ 496.74044 199.5
[M-H]- 472.74394 185.3
[M+NH4]+ 491.78504 197.8
[M+K]+ 512.71438 198.6
[M+H-H2O]+ 456.74848 190.5
[M+HCOO]- 518.74942 174.5
[M+CH3COO]- 532.76507 194.3
[M+Na-2H]- 494.72589 183.0
[M]+ 473.75067 186.2
[M]- 473.75177 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.