CID 53114

74789-22-3

Structural Information

Molecular Formula
C6H13O4PS2
SMILES
COC(=O)CSCSP(=O)(C)OC
InChI
InChI=1S/C6H13O4PS2/c1-9-6(7)4-12-5-13-11(3,8)10-2/h4-5H2,1-3H3
InChIKey
SKDFMOMSRVTQEW-UHFFFAOYSA-N
Compound name
methyl 2-[[methoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.99928 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.006556 147.6
[M+Na]+ 266.988498 153.9
[M-H]- 242.992004 146.5
[M+NH4]+ 262.033103 165.9
[M+K]+ 282.962438 152.2
[M+H-H2O]+ 226.996540 139.5
[M+HCOO]- 288.997481 164.6
[M+CH3COO]- 303.013131 189.3
[M+Na-2H]- 264.973946 146.0
[M]+ 243.99873142 155.5
[M]- 243.99982858 155.5
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.