CID 13583779

O-methyl s-tert-butylthiomethyl methylphosphonothiolate

Structural Information

Molecular Formula
C7H17O2PS2
SMILES
CC(C)(C)SCSP(=O)(C)OC
InChI
InChI=1S/C7H17O2PS2/c1-7(2,3)11-6-12-10(5,8)9-4/h6H2,1-5H3
InChIKey
RUFVKAOTIVSGER-UHFFFAOYSA-N
Compound name
2-[[methoxy(methyl)phosphoryl]sulfanylmethylsulfanyl]-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.04076 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.04804 148.4
[M+Na]+ 251.02998 155.2
[M-H]- 227.03348 147.6
[M+NH4]+ 246.07458 167.9
[M+K]+ 267.00392 153.0
[M+H-H2O]+ 211.03802 140.9
[M+HCOO]- 273.03896 164.2
[M+CH3COO]- 287.05461 189.0
[M+Na-2H]- 249.01543 147.7
[M]+ 228.04021 154.7
[M]- 228.04131 154.7
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.