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 159.7
[M+Na]+ 293.07692 164.5
[M-H]- 269.08042 158.1
[M+NH4]+ 288.12152 177.4
[M+K]+ 309.05086 161.6
[M+H-H2O]+ 253.08496 151.3
[M+HCOO]- 315.08590 174.9
[M+CH3COO]- 329.10155 198.8
[M+Na-2H]- 291.06237 155.7
[M]+ 270.08715 167.2
[M]- 270.08825 167.2
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.