CID 209699

O,o-diethyl o-octan-2-yl phosphorothioate

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]+ 283.149126 170.1
[M+Na]+ 305.131068 174.4
[M-H]- 281.134574 168.4
[M+NH4]+ 300.175673 187.3
[M+K]+ 321.105008 173.1
[M+H-H2O]+ 265.139110 161.7
[M+HCOO]- 327.140051 190.4
[M+CH3COO]- 341.155701 202.2
[M+Na-2H]- 303.116516 167.1
[M]+ 282.14130142 179.6
[M]- 282.14239858 179.6
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.