CID 3086193

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

16
Patents

256.07205 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.079326 154.5
[M+Na]+ 279.061268 159.1
[M-H]- 255.064774 153.2
[M+NH4]+ 274.105873 172.5
[M+K]+ 295.035208 157.4
[M+H-H2O]+ 239.069310 146.5
[M+HCOO]- 301.070251 167.8
[M+CH3COO]- 315.085901 197.4
[M+Na-2H]- 277.046716 149.1
[M]+ 256.07150142 160.5
[M]- 256.07259858 160.5
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.