CID 201451

Phenol, 2,2'-thiobis(6-tert-butyl-4-chloro-

Structural Information

Molecular Formula
C20H24Cl2O2S
SMILES
CC(C)(C)C1=C(C(=CC(=C1)Cl)SC2=CC(=CC(=C2O)C(C)(C)C)Cl)O
InChI
InChI=1S/C20H24Cl2O2S/c1-19(2,3)13-7-11(21)9-15(17(13)23)25-16-10-12(22)8-14(18(16)24)20(4,5)6/h7-10,23-24H,1-6H3
InChIKey
STBISWCOPIJZJA-UHFFFAOYSA-N
Compound name
2-tert-butyl-6-(3-tert-butyl-5-chloro-2-hydroxyphenyl)sulfanyl-4-chlorophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

398.0874 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.09468 188.6
[M+Na]+ 421.07662 198.4
[M-H]- 397.08012 193.4
[M+NH4]+ 416.12122 201.9
[M+K]+ 437.05056 190.7
[M+H-H2O]+ 381.08466 184.4
[M+HCOO]- 443.08560 190.8
[M+CH3COO]- 457.10125 217.2
[M+Na-2H]- 419.06207 187.0
[M]+ 398.08685 195.6
[M]- 398.08795 195.6
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