CID 3048039

Brn 2435517

Structural Information

Molecular Formula
C7H17O3PS
SMILES
CCOP(=S)(OCC)OC(C)C
InChI
InChI=1S/C7H17O3PS/c1-5-8-11(12,9-6-2)10-7(3)4/h7H,5-6H2,1-4H3
InChIKey
DTAUVXJJWJDFDW-UHFFFAOYSA-N
Compound name
diethoxy-propan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.0636 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07088 146.9
[M+Na]+ 235.05282 153.4
[M-H]- 211.05632 146.2
[M+NH4]+ 230.09742 166.9
[M+K]+ 251.02676 153.3
[M+H-H2O]+ 195.06086 139.5
[M+HCOO]- 257.06180 168.9
[M+CH3COO]- 271.07745 187.2
[M+Na-2H]- 233.03827 146.4
[M]+ 212.06305 154.6
[M]- 212.06415 154.6
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.