CID 3088673

Brn 1708505

Structural Information

Molecular Formula
C7H17O4PS
SMILES
CCOP(=S)(OCC)OCCOC
InChI
InChI=1S/C7H17O4PS/c1-4-9-12(13,10-5-2)11-7-6-8-3/h4-7H2,1-3H3
InChIKey
LITCSYZUADAWEW-UHFFFAOYSA-N
Compound name
diethoxy-(2-methoxyethoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.05852 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.06580 149.7
[M+Na]+ 251.04774 156.2
[M-H]- 227.05124 148.8
[M+NH4]+ 246.09234 169.0
[M+K]+ 267.02168 156.1
[M+H-H2O]+ 211.05578 142.0
[M+HCOO]- 273.05672 172.9
[M+CH3COO]- 287.07237 188.5
[M+Na-2H]- 249.03319 150.5
[M]+ 228.05797 159.4
[M]- 228.05907 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.