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 170.1
[M+Na]+ 305.13107 174.4
[M-H]- 281.13457 168.4
[M+NH4]+ 300.17567 187.3
[M+K]+ 321.10501 173.1
[M+H-H2O]+ 265.13911 161.7
[M+HCOO]- 327.14005 190.4
[M+CH3COO]- 341.15570 202.2
[M+Na-2H]- 303.11652 167.1
[M]+ 282.14130 179.6
[M]- 282.14240 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.