CID 3039585

Brn 2208934

Structural Information

Molecular Formula
C10H23O2PS2
SMILES
CCC(C)OP(=O)(CC)SCCSCC
InChI
InChI=1S/C10H23O2PS2/c1-5-10(4)12-13(11,6-2)15-9-8-14-7-3/h10H,5-9H2,1-4H3
InChIKey
PUONAJBNDLLDCI-UHFFFAOYSA-N
Compound name
2-[ethyl(2-ethylsulfanylethylsulfanyl)phosphoryl]oxybutane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0877 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09498 160.5
[M+Na]+ 293.07692 167.4
[M+NH4]+ 288.12152 167.4
[M+K]+ 309.05086 159.1
[M-H]- 269.08042 158.8
[M+Na-2H]- 291.06237 160.5
[M]+ 270.08715 161.7
[M]- 270.08825 161.7
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.