CID 108180

S-tert-butyl o-ethyl ethylphosphonothioate

Structural Information

Molecular Formula
C8H19O2PS
SMILES
CCOP(=O)(CC)SC(C)(C)C
InChI
InChI=1S/C8H19O2PS/c1-6-10-11(9,7-2)12-8(3,4)5/h6-7H2,1-5H3
InChIKey
WOHOOQZHIVDEMO-UHFFFAOYSA-N
Compound name
2-[ethoxy(ethyl)phosphoryl]sulfanyl-2-methylpropane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

210.08434 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.091616 149.5
[M+Na]+ 233.073558 156.4
[M-H]- 209.077064 148.9
[M+NH4]+ 228.118163 169.9
[M+K]+ 249.047498 155.6
[M+H-H2O]+ 193.081600 142.7
[M+HCOO]- 255.082541 170.4
[M+CH3COO]- 269.098191 187.2
[M+Na-2H]- 231.059006 150.4
[M]+ 210.08379142 156.1
[M]- 210.08488858 156.1
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

patents stripe