CID 73557424

Phenol, thiobis(nonyl

Structural Information

Molecular Formula
C30H46O2S
SMILES
CCCCCCCCCC1=C(C=CC(=C1)SC2=CC(=C(C=C2)O)CCCCCCCCC)O
InChI
InChI=1S/C30H46O2S/c1-3-5-7-9-11-13-15-17-25-23-27(19-21-29(25)31)33-28-20-22-30(32)26(24-28)18-16-14-12-10-8-6-4-2/h19-24,31-32H,3-18H2,1-2H3
InChIKey
NWSDEDKLNXKZNQ-UHFFFAOYSA-N
Compound name
4-(4-hydroxy-3-nonylphenyl)sulfanyl-2-nonylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

470.32184 Da
Monoisotopic Mass

12.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.32912 221.0
[M+Na]+ 493.31106 223.1
[M-H]- 469.31456 222.7
[M+NH4]+ 488.35566 228.8
[M+K]+ 509.28500 214.1
[M+H-H2O]+ 453.31910 211.5
[M+HCOO]- 515.32004 232.2
[M+CH3COO]- 529.33569 236.4
[M+Na-2H]- 491.29651 214.6
[M]+ 470.32129 228.4
[M]- 470.32239 228.4
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