CID 59615

102585-58-0

Structural Information

Molecular Formula
C9H19O4PS2
SMILES
CCCCOC(=O)CSCSP(=O)(C)OC
InChI
InChI=1S/C9H19O4PS2/c1-4-5-6-13-9(10)7-15-8-16-14(3,11)12-2/h4-8H2,1-3H3
InChIKey
IEDWEXVGQOCECJ-UHFFFAOYSA-N
Compound name
butyl 2-[[methoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.04623 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05351 160.8
[M+Na]+ 309.03545 165.8
[M-H]- 285.03895 159.1
[M+NH4]+ 304.08005 177.5
[M+K]+ 325.00939 163.4
[M+H-H2O]+ 269.04349 152.2
[M+HCOO]- 331.04443 176.9
[M+CH3COO]- 345.06008 198.1
[M+Na-2H]- 307.02090 157.9
[M]+ 286.04568 169.8
[M]- 286.04678 169.8
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.