CID 20345243

Ns00063519

Structural Information

Molecular Formula
C12H27O2PS2
SMILES
CCCCC(CC)CSP(=S)(O)OCC(C)C
InChI
InChI=1S/C12H27O2PS2/c1-5-7-8-12(6-2)10-17-15(13,16)14-9-11(3)4/h11-12H,5-10H2,1-4H3,(H,13,16)
InChIKey
XHIANSYMJWOVLO-UHFFFAOYSA-N
Compound name
2-ethylhexylsulfanyl-hydroxy-(2-methylpropoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.11902 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.126296 168.8
[M+Na]+ 321.108238 171.9
[M-H]- 297.111744 165.2
[M+NH4]+ 316.152843 184.4
[M+K]+ 337.082178 168.0
[M+H-H2O]+ 281.116280 160.2
[M+HCOO]- 343.117221 180.7
[M+CH3COO]- 357.132871 202.8
[M+Na-2H]- 319.093686 162.5
[M]+ 298.11847142 174.4
[M]- 298.11956858 174.4
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.