CID 3065487

Brn 1709153

Structural Information

Molecular Formula
C8H18ClO3PS
SMILES
CCCOP(=O)(OCCC)SCCCl
InChI
InChI=1S/C8H18ClO3PS/c1-3-6-11-13(10,12-7-4-2)14-8-5-9/h3-8H2,1-2H3
InChIKey
MDXPELRHMMAQBY-UHFFFAOYSA-N
Compound name
1-[2-chloroethylsulfanyl(propoxy)phosphoryl]oxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.04028 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.04756 154.9
[M+Na]+ 283.02950 162.0
[M-H]- 259.03300 154.2
[M+NH4]+ 278.07410 174.0
[M+K]+ 299.00344 159.1
[M+H-H2O]+ 243.03754 148.4
[M+HCOO]- 305.03848 173.2
[M+CH3COO]- 319.05413 193.2
[M+Na-2H]- 281.01495 154.9
[M]+ 260.03973 165.2
[M]- 260.04083 165.2
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.