CID 6541

78-52-4

Structural Information

Molecular Formula
C8H19O2PS3
SMILES
CCOP(=S)(OCC)SCSC(C)C
InChI
InChI=1S/C8H19O2PS3/c1-5-9-11(12,10-6-2)14-7-13-8(3)4/h8H,5-7H2,1-4H3
InChIKey
QVSDWRRZCKGXCO-UHFFFAOYSA-N
Compound name
diethoxy-(propan-2-ylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.02847 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.03575 154.2
[M+Na]+ 297.01769 159.2
[M-H]- 273.02119 152.0
[M+NH4]+ 292.06229 171.0
[M+K]+ 312.99163 154.5
[M+H-H2O]+ 257.02573 145.4
[M+HCOO]- 319.02667 164.0
[M+CH3COO]- 333.04232 198.3
[M+Na-2H]- 295.00314 150.2
[M]+ 274.02792 159.4
[M]- 274.02902 159.4
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.