CID 1575463

Phenol, 4,4'-dithiobis[2,6-bis(1,1-dimethylethyl)-

Structural Information

Molecular Formula
C28H42O2S2
SMILES
CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SSC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C28H42O2S2/c1-25(2,3)19-13-17(14-20(23(19)29)26(4,5)6)31-32-18-15-21(27(7,8)9)24(30)22(16-18)28(10,11)12/h13-16,29-30H,1-12H3
InChIKey
NEUPRVAMTYHIQV-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)disulfanyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

967
Patents

474.26263 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 475.26991 210.7
[M+Na]+ 497.25185 215.8
[M-H]- 473.25535 213.8
[M+NH4]+ 492.29645 219.5
[M+K]+ 513.22579 209.4
[M+H-H2O]+ 457.25989 204.0
[M+HCOO]- 519.26083 211.4
[M+CH3COO]- 533.27648 236.5
[M+Na-2H]- 495.23730 208.9
[M]+ 474.26208 216.5
[M]- 474.26318 216.5
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