CID 18974456

17535-00-1

Structural Information

Molecular Formula

C₄H₁₀FO₃PS

SMILES

CP(=O)(C)CCS(=O)(=O)F

InChI

InChI=1S/C4H10FO3PS/c1-9(2,6)3-4-10(5,7)8/h3-4H2,1-2H3

InChIKey

RWDKATPFMKKREA-UHFFFAOYSA-N

Compound name

2-dimethylphosphorylethanesulfonyl fluoride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 188.00723 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	189.014506	133.9
[M+Na]+	210.996448	142.8
[M-H]-	186.999954	132.5
[M+NH4]+	206.041053	154.8
[M+K]+	226.970388	141.7
[M+H-H2O]+	171.004490	126.7
[M+HCOO]-	233.005431	155.6
[M+CH3COO]-	247.021081	178.6
[M+Na-2H]-	208.981896	136.5
[M]+	188.00668142	137.9
[M]-	188.00777858	137.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe