CID 3063122

Brn 1710408

Structural Information

Molecular Formula
C10H23O3PS2
SMILES
CCCCSCCOP(=S)(OCC)OCC
InChI
InChI=1S/C10H23O3PS2/c1-4-7-9-16-10-8-13-14(15,11-5-2)12-6-3/h4-10H2,1-3H3
InChIKey
DWTNJSOEZCCGQW-UHFFFAOYSA-N
Compound name
2-butylsulfanylethoxy-diethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.0826 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08988 162.9
[M+Na]+ 309.07182 167.8
[M-H]- 285.07532 161.0
[M+NH4]+ 304.11642 179.8
[M+K]+ 325.04576 164.8
[M+H-H2O]+ 269.07986 154.1
[M+HCOO]- 331.08080 179.4
[M+CH3COO]- 345.09645 200.0
[M+Na-2H]- 307.05727 160.1
[M]+ 286.08205 172.3
[M]- 286.08315 172.3
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.