CID 3055276

Brn 1966129

Structural Information

Molecular Formula
C11H25O5PS
SMILES
CCCSP(=O)(OCCOCC)OCCOCC
InChI
InChI=1S/C11H25O5PS/c1-4-11-18-17(12,15-9-7-13-5-2)16-10-8-14-6-3/h4-11H2,1-3H3
InChIKey
WUHQROWGLNSUAU-UHFFFAOYSA-N
Compound name
1-[bis(2-ethoxyethoxy)phosphorylsulfanyl]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.11603 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12331 170.5
[M+Na]+ 323.10525 175.1
[M-H]- 299.10875 168.7
[M+NH4]+ 318.14985 186.8
[M+K]+ 339.07919 174.5
[M+H-H2O]+ 283.11329 161.7
[M+HCOO]- 345.11423 192.7
[M+CH3COO]- 359.12988 202.4
[M+Na-2H]- 321.09070 169.7
[M]+ 300.11548 183.0
[M]- 300.11658 183.0
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.