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 155.0
[M+Na]+ 297.01769 161.2
[M+NH4]+ 292.06229 162.2
[M+K]+ 312.99163 152.2
[M-H]- 273.02119 153.6
[M+Na-2H]- 295.00314 154.5
[M]+ 274.02792 156.6
[M]- 274.02902 156.6
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.