CID 6850816

110675-26-8

Structural Information

Molecular Formula
C33H60OS2
SMILES
CCCCCCCCCCCCSCC1=CC(=C(C(=C1)C)O)CSCCCCCCCCCCCC
InChI
InChI=1S/C33H60OS2/c1-4-6-8-10-12-14-16-18-20-22-24-35-28-31-26-30(3)33(34)32(27-31)29-36-25-23-21-19-17-15-13-11-9-7-5-2/h26-27,34H,4-25,28-29H2,1-3H3
InChIKey
VTFXHGBOGGGYDO-UHFFFAOYSA-N
Compound name
2,4-bis(dodecylsulfanylmethyl)-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

3791
Patents

536.40857 Da
Monoisotopic Mass

14.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.41585 233.7
[M+Na]+ 559.39779 232.6
[M-H]- 535.40129 231.5
[M+NH4]+ 554.44239 240.0
[M+K]+ 575.37173 222.1
[M+H-H2O]+ 519.40583 223.9
[M+HCOO]- 581.40677 238.1
[M+CH3COO]- 595.42242 251.8
[M+Na-2H]- 557.38324 223.5
[M]+ 536.40802 245.3
[M]- 536.40912 245.3
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.