CID 165994923

Diethyl [1-(chlorosulfonyl)cyclopropyl]phosphonate

Structural Information

Molecular Formula
C7H14ClO5PS
SMILES
CCOP(=O)(C1(CC1)S(=O)(=O)Cl)OCC
InChI
InChI=1S/C7H14ClO5PS/c1-3-12-14(9,13-4-2)7(5-6-7)15(8,10)11/h3-6H2,1-2H3
InChIKey
MPGQUUYHWSFBKY-UHFFFAOYSA-N
Compound name
1-diethoxyphosphorylcyclopropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.9988 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.00608 150.4
[M+Na]+ 298.98802 160.0
[M-H]- 274.99152 154.3
[M+NH4]+ 294.03262 165.5
[M+K]+ 314.96196 157.6
[M+H-H2O]+ 258.99606 145.1
[M+HCOO]- 320.99700 168.1
[M+CH3COO]- 335.01265 193.6
[M+Na-2H]- 296.97347 155.1
[M]+ 275.99825 162.5
[M]- 275.99935 162.5
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.