CID 6452819

Phosphorothioic acid, o,o-bis(2-methylpropyl) ester, sodium salt

Structural Information

Molecular Formula
C8H19O3PS
SMILES
CC(C)COP(=S)(O)OCC(C)C
InChI
InChI=1S/C8H19O3PS/c1-7(2)5-10-12(9,13)11-6-8(3)4/h7-8H,5-6H2,1-4H3,(H,9,13)
InChIKey
JOVBTVIBOUJCPQ-UHFFFAOYSA-N
Compound name
hydroxy-bis(2-methylpropoxy)-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

162
Patents

226.07925 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08653 152.3
[M+Na]+ 249.06847 157.5
[M-H]- 225.07197 149.9
[M+NH4]+ 244.11307 170.8
[M+K]+ 265.04241 156.7
[M+H-H2O]+ 209.07651 145.0
[M+HCOO]- 271.07745 171.3
[M+CH3COO]- 285.09310 188.3
[M+Na-2H]- 247.05392 149.6
[M]+ 226.07870 157.7
[M]- 226.07980 157.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe