CID 109347

Einecs 270-220-1

Structural Information

Molecular Formula
C28H55O6PS2
SMILES
CCCCC(CC)COP(=S)(OCC(CC)CCCC)SC(CC(=O)OCCCC)C(=O)OCCCC
InChI
InChI=1S/C28H55O6PS2/c1-7-13-17-24(11-5)22-33-35(36,34-23-25(12-6)18-14-8-2)37-26(28(30)32-20-16-10-4)21-27(29)31-19-15-9-3/h24-26H,7-23H2,1-6H3
InChIKey
DHEMFBSSQAFTOU-UHFFFAOYSA-N
Compound name
dibutyl 2-[bis(2-ethylhexoxy)phosphinothioylsulfanyl]butanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

47
Patents

582.31775 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.32503 257.3
[M+Na]+ 605.30697 259.3
[M-H]- 581.31047 245.2
[M+NH4]+ 600.35157 265.1
[M+K]+ 621.28091 261.4
[M+H-H2O]+ 565.31501 251.1
[M+HCOO]- 627.31595 257.6
[M+CH3COO]- 641.33160 256.8
[M+Na-2H]- 603.29242 240.1
[M]+ 582.31720 259.9
[M]- 582.31830 259.9
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

patents stripe