CID 22833363

Einecs 272-238-5

Structural Information

Molecular Formula
C10H23O2PS2
SMILES
CCC(C)OP(=S)(OC(C)CC(C)C)S
InChI
InChI=1S/C10H23O2PS2/c1-6-9(4)11-13(14,15)12-10(5)7-8(2)3/h8-10H,6-7H2,1-5H3,(H,14,15)
InChIKey
KRJZWRMOMAVUBC-UHFFFAOYSA-N
Compound name
butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-lambda5-phosphane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

270.0877 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09498 159.0
[M+Na]+ 293.07692 163.1
[M-H]- 269.08042 157.4
[M+NH4]+ 288.12152 176.4
[M+K]+ 309.05086 161.2
[M+H-H2O]+ 253.08496 150.7
[M+HCOO]- 315.08590 172.0
[M+CH3COO]- 329.10155 200.3
[M+Na-2H]- 291.06237 153.2
[M]+ 270.08715 165.3
[M]- 270.08825 165.3
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.