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]+ 271.094976 159.7
[M+Na]+ 293.076918 164.5
[M-H]- 269.080424 158.1
[M+NH4]+ 288.121523 177.4
[M+K]+ 309.050858 161.6
[M+H-H2O]+ 253.084960 151.3
[M+HCOO]- 315.085901 174.9
[M+CH3COO]- 329.101551 198.8
[M+Na-2H]- 291.062366 155.7
[M]+ 270.08715142 167.2
[M]- 270.08824858 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.