CID 3086193

Unii-b3siw51l7i

Structural Information

Molecular Formula
C9H21O2PS2
SMILES
C[C@H](CC(C)C)OP(=S)(OC(C)C)S
InChI
InChI=1S/C9H21O2PS2/c1-7(2)6-9(5)11-12(13,14)10-8(3)4/h7-9H,6H2,1-5H3,(H,13,14)/t9-/m1/s1
InChIKey
UAXMPVJRTGNEPS-SECBINFHSA-N
Compound name
[(2R)-4-methylpentan-2-yl]oxy-propan-2-yloxy-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

256.07205 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.07933 156.5
[M+Na]+ 279.06127 162.8
[M+NH4]+ 274.10587 163.3
[M+K]+ 295.03521 156.4
[M-H]- 255.06477 154.4
[M+Na-2H]- 277.04672 156.2
[M]+ 256.07150 157.5
[M]- 256.07260 157.5
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.