CID 120882

Stauffer b-9625

Structural Information

Molecular Formula
C7H15O3PS3
SMILES
CC1(OCCS1)CSP(=S)(OC)OC
InChI
InChI=1S/C7H15O3PS3/c1-7(10-4-5-13-7)6-14-11(12,8-2)9-3/h4-6H2,1-3H3
InChIKey
ZYHDGDKJUNEDOF-UHFFFAOYSA-N
Compound name
dimethoxy-[(2-methyl-1,3-oxathiolan-2-yl)methylsulfanyl]-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.9921 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.99938 151.3
[M+Na]+ 296.98132 157.8
[M-H]- 272.98482 152.9
[M+NH4]+ 292.02592 170.5
[M+K]+ 312.95526 155.7
[M+H-H2O]+ 256.98936 144.8
[M+HCOO]- 318.99030 162.5
[M+CH3COO]- 333.00595 192.4
[M+Na-2H]- 294.96677 151.1
[M]+ 273.99155 155.1
[M]- 273.99265 155.1
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.