CID 220303

3273-24-3

Structural Information

Molecular Formula
C20H26O2S
SMILES
CC(C)(C)C1=CC(=C(C=C1)O)SC2=C(C=CC(=C2)C(C)(C)C)O
InChI
InChI=1S/C20H26O2S/c1-19(2,3)13-7-9-15(21)17(11-13)23-18-12-14(20(4,5)6)8-10-16(18)22/h7-12,21-22H,1-6H3
InChIKey
KERJVHXRZDUVKQ-UHFFFAOYSA-N
Compound name
4-tert-butyl-2-(5-tert-butyl-2-hydroxyphenyl)sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

191
Patents

330.16534 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.17262 179.1
[M+Na]+ 353.15456 186.6
[M-H]- 329.15806 183.7
[M+NH4]+ 348.19916 193.3
[M+K]+ 369.12850 181.2
[M+H-H2O]+ 313.16260 172.9
[M+HCOO]- 375.16354 190.7
[M+CH3COO]- 389.17919 207.0
[M+Na-2H]- 351.14001 179.7
[M]+ 330.16479 182.2
[M]- 330.16589 182.2
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