CID 3055279

72197-92-3

Structural Information

Molecular Formula
C14H31O5PS
SMILES
CCCCC(C)OP(=S)(OCCOCC)OCCOCC
InChI
InChI=1S/C14H31O5PS/c1-5-8-9-14(4)19-20(21,17-12-10-15-6-2)18-13-11-16-7-3/h14H,5-13H2,1-4H3
InChIKey
DJBHGEFSQNXZMO-UHFFFAOYSA-N
Compound name
bis(2-ethoxyethoxy)-hexan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.163 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.17028 181.7
[M+Na]+ 365.15222 187.1
[M+NH4]+ 360.19682 186.0
[M+K]+ 381.12616 181.1
[M-H]- 341.15572 178.0
[M+Na-2H]- 363.13767 180.4
[M]+ 342.16245 181.4
[M]- 342.16355 181.4
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.