CID 209168

Phenol, 2,2'-methylenebis(3,5,6-trichloro-

Structural Information

Molecular Formula
C13H6Cl6O2
SMILES
C1=C(C(=C(C(=C1Cl)Cl)O)CC2=C(C(=C(C=C2Cl)Cl)Cl)O)Cl
InChI
InChI=1S/C13H6Cl6O2/c14-6-2-8(16)10(18)12(20)4(6)1-5-7(15)3-9(17)11(19)13(5)21/h2-3,20-21H,1H2
InChIKey
SPFVBVIRMDLUJI-UHFFFAOYSA-N
Compound name
2,3,5-trichloro-6-[(3,4,6-trichloro-2-hydroxyphenyl)methyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

403.84988 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.85716 190.6
[M+Na]+ 426.83910 205.5
[M+NH4]+ 421.88370 197.2
[M+K]+ 442.81304 196.1
[M-H]- 402.84260 191.8
[M+Na-2H]- 424.82455 194.8
[M]+ 403.84933 194.6
[M]- 403.85043 194.6
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

patents stripe