CID 198660

90220-15-8

Structural Information

Molecular Formula
C8H19O2PS
SMILES
CCCOP(=O)(CC)SCCC
InChI
InChI=1S/C8H19O2PS/c1-4-7-10-11(9,6-3)12-8-5-2/h4-8H2,1-3H3
InChIKey
PMQIYZHLHSBCEO-UHFFFAOYSA-N
Compound name
1-[ethyl(propylsulfanyl)phosphoryl]oxypropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.08434 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09162 148.6
[M+Na]+ 233.07356 155.1
[M-H]- 209.07706 147.7
[M+NH4]+ 228.11816 168.9
[M+K]+ 249.04750 153.8
[M+H-H2O]+ 193.08160 141.2
[M+HCOO]- 255.08254 171.0
[M+CH3COO]- 269.09819 187.5
[M+Na-2H]- 231.05901 148.4
[M]+ 210.08379 155.9
[M]- 210.08489 155.9
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.