CID 3061884

79985-90-3

Structural Information

Molecular Formula
C8H19O3PS
SMILES
CCCCC(C)OP(=S)(OC)OC
InChI
InChI=1S/C8H19O3PS/c1-5-6-7-8(2)11-12(13,9-3)10-4/h8H,5-7H2,1-4H3
InChIKey
GUJCTFUPYTZUMH-UHFFFAOYSA-N
Compound name
hexan-2-yloxy-dimethoxy-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.07925 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08653 151.6
[M+Na]+ 249.06847 157.6
[M-H]- 225.07197 150.7
[M+NH4]+ 244.11307 171.0
[M+K]+ 265.04241 157.3
[M+H-H2O]+ 209.07651 144.0
[M+HCOO]- 271.07745 173.2
[M+CH3COO]- 285.09310 190.2
[M+Na-2H]- 247.05392 150.5
[M]+ 226.07870 159.6
[M]- 226.07980 159.6
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.