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]+ 399.23288 202.4
[M+Na]+ 421.21482 203.7
[M-H]- 397.21832 199.3
[M+NH4]+ 416.25942 211.6
[M+K]+ 437.18876 201.9
[M+H-H2O]+ 381.22286 192.4
[M+HCOO]- 443.22380 223.5
[M+CH3COO]- 457.23945 223.7
[M+Na-2H]- 419.20027 197.3
[M]+ 398.22505 216.9
[M]- 398.22615 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.