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]+ 430.98262 186.9
[M+Na]+ 452.96456 187.3
[M-H]- 428.96806 180.0
[M+NH4]+ 448.00916 195.1
[M+K]+ 468.93850 177.9
[M+H-H2O]+ 412.97260 172.9
[M+HCOO]- 474.97354 188.8
[M+CH3COO]- 488.98919 224.3
[M+Na-2H]- 450.95001 183.6
[M]+ 429.97479 185.6
[M]- 429.97589 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.