CID 3055270

72197-83-2

Structural Information

Molecular Formula
C11H25O5PS
SMILES
CCCC(C)OP(=S)(OCCOC)OCCOC
InChI
InChI=1S/C11H25O5PS/c1-5-6-11(2)16-17(18,14-9-7-12-3)15-10-8-13-4/h11H,5-10H2,1-4H3
InChIKey
LWMJTLRXZZPMBX-UHFFFAOYSA-N
Compound name
bis(2-methoxyethoxy)-pentan-2-yloxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.11603 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12331 170.7
[M+Na]+ 323.10525 175.1
[M-H]- 299.10875 169.1
[M+NH4]+ 318.14985 187.0
[M+K]+ 339.07919 175.0
[M+H-H2O]+ 283.11329 162.1
[M+HCOO]- 345.11423 191.9
[M+CH3COO]- 359.12988 203.1
[M+Na-2H]- 321.09070 168.9
[M]+ 300.11548 182.7
[M]- 300.11658 182.7
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.