CID 3055267

Brn 1956826

Structural Information

Molecular Formula
C8H19O5PS
SMILES
CCSP(=O)(OCCOC)OCCOC
InChI
InChI=1S/C8H19O5PS/c1-4-15-14(9,12-7-5-10-2)13-8-6-11-3/h4-8H2,1-3H3
InChIKey
YTRBHGCIUCFNKE-UHFFFAOYSA-N
Compound name
1-[ethylsulfanyl(2-methoxyethoxy)phosphoryl]oxy-2-methoxyethane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0691 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07638 156.7
[M+Na]+ 281.05832 162.7
[M-H]- 257.06182 155.6
[M+NH4]+ 276.10292 174.7
[M+K]+ 297.03226 162.8
[M+H-H2O]+ 241.06636 148.6
[M+HCOO]- 303.06730 179.9
[M+CH3COO]- 317.08295 193.5
[M+Na-2H]- 279.04377 157.4
[M]+ 258.06855 168.2
[M]- 258.06965 168.2
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.