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 184.4
[M+Na]+ 365.15222 187.5
[M-H]- 341.15572 182.2
[M+NH4]+ 360.19682 198.9
[M+K]+ 381.12616 186.7
[M+H-H2O]+ 325.16026 175.2
[M+HCOO]- 387.16120 204.6
[M+CH3COO]- 401.17685 212.0
[M+Na-2H]- 363.13767 181.2
[M]+ 342.16245 197.5
[M]- 342.16355 197.5
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.