CID 120883

Stauffer b 10421

Structural Information

Molecular Formula
C7H15O2PS4
SMILES
CC1(SCCS1)CSP(=S)(OC)OC
InChI
InChI=1S/C7H15O2PS4/c1-7(12-4-5-13-7)6-14-10(11,8-2)9-3/h4-6H2,1-3H3
InChIKey
DSAFSUNZJMZOND-UHFFFAOYSA-N
Compound name
dimethoxy-[(2-methyl-1,3-dithiolan-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.96924 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.97652 155.5
[M+Na]+ 312.95846 161.6
[M-H]- 288.96196 155.1
[M+NH4]+ 308.00306 174.2
[M+K]+ 328.93240 155.8
[M+H-H2O]+ 272.96650 148.5
[M+HCOO]- 334.96744 160.9
[M+CH3COO]- 348.98309 196.7
[M+Na-2H]- 310.94391 154.3
[M]+ 289.96869 155.3
[M]- 289.96979 155.3
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.