CID 4208565

4,6-dichloro-alpha-(2,4-dimethyl-6-(3-methylbenzyl)phenylsulfonyl)-o-cresol

Structural Information

Molecular Formula
C23H22Cl2O3S
SMILES
CC1=CC(=CC=C1)CC2=CC(=CC(=C2S(=O)(=O)CC3=C(C(=CC(=C3)Cl)Cl)O)C)C
InChI
InChI=1S/C23H22Cl2O3S/c1-14-5-4-6-17(8-14)10-18-9-15(2)7-16(3)23(18)29(27,28)13-19-11-20(24)12-21(25)22(19)26/h4-9,11-12,26H,10,13H2,1-3H3
InChIKey
PRIJRNJBUXOOGV-UHFFFAOYSA-N
Compound name
2,4-dichloro-6-[[2,4-dimethyl-6-[(3-methylphenyl)methyl]phenyl]sulfonylmethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

448.06668 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.07396 208.1
[M+Na]+ 471.05590 225.9
[M+NH4]+ 466.10050 216.0
[M+K]+ 487.02984 213.9
[M-H]- 447.05940 213.9
[M+Na-2H]- 469.04135 216.6
[M]+ 448.06613 213.8
[M]- 448.06723 213.8
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.