CID 3055283

72197-96-7

Structural Information

Molecular Formula
C18H39O5PS
SMILES
CCCCCCCCC(C)OP(=S)(OCCOCC)OCCOCC
InChI
InChI=1S/C18H39O5PS/c1-5-8-9-10-11-12-13-18(4)23-24(25,21-16-14-19-6-2)22-17-15-20-7-3/h18H,5-17H2,1-4H3
InChIKey
AHQUNLWGHDVHSW-UHFFFAOYSA-N
Compound name
decan-2-yloxy-bis(2-ethoxyethoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2256 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.232876 202.4
[M+Na]+ 421.214818 203.7
[M-H]- 397.218324 199.3
[M+NH4]+ 416.259423 211.6
[M+K]+ 437.188758 201.9
[M+H-H2O]+ 381.222860 192.4
[M+HCOO]- 443.223801 223.5
[M+CH3COO]- 457.239451 223.7
[M+Na-2H]- 419.200266 197.3
[M]+ 398.22505142 216.9
[M]- 398.22614858 216.9
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.