CID 44144575

Velsicol 58-cs-51

Structural Information

Molecular Formula
C10H24O4P2S5
SMILES
CC(CSCC(C)SP(=S)(OC)OC)SP(=S)(OC)OC
InChI
InChI=1S/C10H24O4P2S5/c1-9(20-15(17,11-3)12-4)7-19-8-10(2)21-16(18,13-5)14-6/h9-10H,7-8H2,1-6H3
InChIKey
XQVVOZHTKCCAGD-UHFFFAOYSA-N
Compound name
1-(2-dimethoxyphosphinothioylsulfanylpropylsulfanyl)propan-2-ylsulfanyl-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

429.97534 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.982616 186.9
[M+Na]+ 452.964558 187.3
[M-H]- 428.968064 180.0
[M+NH4]+ 448.009163 195.1
[M+K]+ 468.938498 177.9
[M+H-H2O]+ 412.972600 172.9
[M+HCOO]- 474.973541 188.8
[M+CH3COO]- 488.989191 224.3
[M+Na-2H]- 450.950006 183.6
[M]+ 429.97479142 185.6
[M]- 429.97588858 185.6
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.