CID 6454926

2,2'-thiobis(4-chloro-6-isopropyl-m-cresol)

Structural Information

Molecular Formula
C20H24Cl2O2S
SMILES
CC1=C(C=C(C(=C1SC2=C(C(=CC(=C2C)Cl)C(C)C)O)O)C(C)C)Cl
InChI
InChI=1S/C20H24Cl2O2S/c1-9(2)13-7-15(21)11(5)19(17(13)23)25-20-12(6)16(22)8-14(10(3)4)18(20)24/h7-10,23-24H,1-6H3
InChIKey
AALDANJLYWODLY-UHFFFAOYSA-N
Compound name
4-chloro-2-(5-chloro-2-hydroxy-6-methyl-3-propan-2-ylphenyl)sulfanyl-3-methyl-6-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

398.0874 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.09468 183.7
[M+Na]+ 421.07662 193.8
[M-H]- 397.08012 188.6
[M+NH4]+ 416.12122 197.1
[M+K]+ 437.05056 186.2
[M+H-H2O]+ 381.08466 179.7
[M+HCOO]- 443.08560 186.9
[M+CH3COO]- 457.10125 221.7
[M+Na-2H]- 419.06207 177.2
[M]+ 398.08685 191.8
[M]- 398.08795 191.8
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

patents stripe