CID 122164421

2,3-dimethoxypropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H11ClO4S
SMILES
COCC(CS(=O)(=O)Cl)OC
InChI
InChI=1S/C5H11ClO4S/c1-9-3-5(10-2)4-11(6,7)8/h5H,3-4H2,1-2H3
InChIKey
NZRWKUFLBBONMX-UHFFFAOYSA-N
Compound name
2,3-dimethoxypropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.00665 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.013926 136.3
[M+Na]+ 224.995868 144.9
[M-H]- 200.999374 137.4
[M+NH4]+ 220.040473 156.9
[M+K]+ 240.969808 143.3
[M+H-H2O]+ 185.003910 133.0
[M+HCOO]- 247.004851 149.4
[M+CH3COO]- 261.020501 179.3
[M+Na-2H]- 222.981316 139.9
[M]+ 202.00610142 144.3
[M]- 202.00719858 144.3
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.