CID 3055281

72197-94-5

Structural Information

Molecular Formula
C16H35O5PS
SMILES
CCCCCCC(C)OP(=S)(OCCOCC)OCCOCC
InChI
InChI=1S/C16H35O5PS/c1-5-8-9-10-11-16(4)21-22(23,19-14-12-17-6-2)20-15-13-18-7-3/h16H,5-15H2,1-4H3
InChIKey
FCXPGTMKRQSBQI-UHFFFAOYSA-N
Compound name
bis(2-ethoxyethoxy)-octan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.19427 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.20155 193.4
[M+Na]+ 393.18349 195.7
[M-H]- 369.18699 190.8
[M+NH4]+ 388.22809 203.9
[M+K]+ 409.15743 194.3
[M+H-H2O]+ 353.19153 183.9
[M+HCOO]- 415.19247 216.5
[M+CH3COO]- 429.20812 217.9
[M+Na-2H]- 391.16894 189.2
[M]+ 370.19372 207.2
[M]- 370.19482 207.2
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.