CID 110357

68479-73-2

Structural Information

Molecular Formula
C44H67O2PS2
SMILES
CCCCCCCCCCCCC1=CC(=CC=C1)OP(=S)(OC2=CC=CC(=C2)CCCCCCCCCCCC)SCCC3=CC=CC=C3
InChI
InChI=1S/C44H67O2PS2/c1-3-5-7-9-11-13-15-17-19-22-30-41-32-26-34-43(38-41)45-47(48,49-37-36-40-28-24-21-25-29-40)46-44-35-27-33-42(39-44)31-23-20-18-16-14-12-10-8-6-4-2/h21,24-29,32-35,38-39H,3-20,22-23,30-31,36-37H2,1-2H3
InChIKey
HLWABVVKNMHQAZ-UHFFFAOYSA-N
Compound name
bis(3-dodecylphenoxy)-(2-phenylethylsulfanyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

722.432 Da
Monoisotopic Mass

19.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 723.43928 277.7
[M+Na]+ 745.42122 287.5
[M+NH4]+ 740.46582 282.7
[M+K]+ 761.39516 270.3
[M-H]- 721.42472 283.3
[M+Na-2H]- 743.40667 283.2
[M]+ 722.43145 281.8
[M]- 722.43255 281.8
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.