CID 209699

20195-14-6

Structural Information

Molecular Formula
C12H27O3PS
SMILES
CCCCCCC(C)OP(=S)(OCC)OCC
InChI
InChI=1S/C12H27O3PS/c1-5-8-9-10-11-12(4)15-16(17,13-6-2)14-7-3/h12H,5-11H2,1-4H3
InChIKey
ZKPOIXQVWSSTAQ-UHFFFAOYSA-N
Compound name
diethoxy-octan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.14185 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14913 168.0
[M+Na]+ 305.13107 174.9
[M+NH4]+ 300.17567 173.8
[M+K]+ 321.10501 168.2
[M-H]- 281.13457 165.5
[M+Na-2H]- 303.11652 168.0
[M]+ 282.14130 168.4
[M]- 282.14240 168.4
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.