CID 108882

60052-04-2

Structural Information

Molecular Formula
C16H36O5P2S2
SMILES
CCCCOP(=S)(OCCCC)OP(=S)(OCCCC)OCCCC
InChI
InChI=1S/C16H36O5P2S2/c1-5-9-13-17-22(24,18-14-10-6-2)21-23(25,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3
InChIKey
WVPSCUZZNRHHIP-UHFFFAOYSA-N
Compound name
dibutoxy-dibutoxyphosphinothioyloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.14795 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.15523 201.1
[M+Na]+ 457.13717 213.9
[M-H]- 433.14067 198.6
[M+NH4]+ 452.18177 214.8
[M+K]+ 473.11111 199.2
[M+H-H2O]+ 417.14521 188.6
[M+HCOO]- 479.14615 230.3
[M+CH3COO]- 493.16180 227.7
[M+Na-2H]- 455.12262 196.3
[M]+ 434.14740 215.4
[M]- 434.14850 215.4
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

No patent data available for this compound.