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
2
Annotation Hits

0
References

5212
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

literature stripe

Patent stripe

patents stripe