CID 22833432

11059-65-7

Structural Information

Molecular Formula
C36H59O2PS2
SMILES
CCCC(C)C(CCC)C(C)CC1=CC=C(C=C1)OP(=S)(OC2=CC=C(C=C2)CC(C)C(CCC)C(C)CCC)S
InChI
InChI=1S/C36H59O2PS2/c1-9-13-27(5)35(15-11-3)29(7)25-31-17-21-33(22-18-31)37-39(40,41)38-34-23-19-32(20-24-34)26-30(8)36(16-12-4)28(6)14-10-2/h17-24,27-30,35-36H,9-16,25-26H2,1-8H3,(H,40,41)
InChIKey
PPHMMPMJCWQDOI-UHFFFAOYSA-N
Compound name
bis[4-(2,4-dimethyl-3-propylheptyl)phenoxy]-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

618.3694 Da
Monoisotopic Mass

16.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 619.37668 246.7
[M+Na]+ 641.35862 253.0
[M+NH4]+ 636.40322 251.2
[M+K]+ 657.33256 243.1
[M-H]- 617.36212 248.6
[M+Na-2H]- 639.34407 248.8
[M]+ 618.36885 249.0
[M]- 618.36995 249.0
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.