CID 74742

1940-20-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

403.84988 Da
Monoisotopic Mass

6.9
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

No literature data available for this compound.

Patent stripe

patents stripe