CID 96445

63815-52-1

Structural Information

Molecular Formula
C8H20O4P2S2
SMILES
CCOP(=S)(CC)OP(=S)(OCC)OCC
InChI
InChI=1S/C8H20O4P2S2/c1-5-9-13(15,8-4)12-14(16,10-6-2)11-7-3/h5-8H2,1-4H3
InChIKey
QVPJNZSBTABBQU-UHFFFAOYSA-N
Compound name
diethoxy-[ethoxy(ethyl)phosphinothioyl]oxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.02783 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.03511 163.5
[M+Na]+ 329.01705 168.8
[M-H]- 305.02055 161.0
[M+NH4]+ 324.06165 180.0
[M+K]+ 344.99099 166.6
[M+H-H2O]+ 289.02509 152.6
[M+HCOO]- 351.02603 185.4
[M+CH3COO]- 365.04168 202.6
[M+Na-2H]- 327.00250 161.2
[M]+ 306.02728 173.1
[M]- 306.02838 173.1
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.