CID 44151286

1,2-benzenediol, thiobis(4-(1,1-dimethylethyl)-

Structural Information

Molecular Formula
C20H26O4S
SMILES
CC(C)(C)C1=C(C(=C(C=C1)O)O)SC2=C(C=CC(=C2O)O)C(C)(C)C
InChI
InChI=1S/C20H26O4S/c1-19(2,3)11-7-9-13(21)15(23)17(11)25-18-12(20(4,5)6)8-10-14(22)16(18)24/h7-10,21-24H,1-6H3
InChIKey
JZORCAQWNJVPPT-UHFFFAOYSA-N
Compound name
4-tert-butyl-3-(6-tert-butyl-2,3-dihydroxyphenyl)sulfanylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.15518 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.16246 185.6
[M+Na]+ 385.14440 193.0
[M-H]- 361.14790 187.8
[M+NH4]+ 380.18900 197.1
[M+K]+ 401.11834 187.6
[M+H-H2O]+ 345.15244 179.8
[M+HCOO]- 407.15338 194.3
[M+CH3COO]- 421.16903 209.5
[M+Na-2H]- 383.12985 184.6
[M]+ 362.15463 188.6
[M]- 362.15573 188.6
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

No patent data available for this compound.