CID 3049707

65143-02-4

Structural Information

Molecular Formula
C8H19O2PS
SMILES
CCCC(C)OP(=S)(C)OCC
InChI
InChI=1S/C8H19O2PS/c1-5-7-8(3)10-11(4,12)9-6-2/h8H,5-7H2,1-4H3
InChIKey
BDEGQQXVIXWKFG-UHFFFAOYSA-N
Compound name
ethoxy-methyl-pentan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08434 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09162 148.5
[M+Na]+ 233.07356 154.8
[M-H]- 209.07706 147.7
[M+NH4]+ 228.11816 168.7
[M+K]+ 249.04750 153.9
[M+H-H2O]+ 193.08160 141.2
[M+HCOO]- 255.08254 169.9
[M+CH3COO]- 269.09819 188.3
[M+Na-2H]- 231.05901 147.2
[M]+ 210.08379 155.2
[M]- 210.08489 155.2
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.