CID 122163174

2-(chlorosulfonyl)-1,3-dimethoxypropane

Structural Information

Molecular Formula
C5H11ClO4S
SMILES
COCC(COC)S(=O)(=O)Cl
InChI
InChI=1S/C5H11ClO4S/c1-9-3-5(4-10-2)11(6,7)8/h5H,3-4H2,1-2H3
InChIKey
VZVKVKCMRJRKDC-UHFFFAOYSA-N
Compound name
1,3-dimethoxypropane-2-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]+ 203.01393 136.3
[M+Na]+ 224.99587 144.9
[M-H]- 200.99937 137.4
[M+NH4]+ 220.04047 156.9
[M+K]+ 240.96981 143.3
[M+H-H2O]+ 185.00391 133.0
[M+HCOO]- 247.00485 149.4
[M+CH3COO]- 261.02050 179.3
[M+Na-2H]- 222.98132 139.9
[M]+ 202.00610 144.3
[M]- 202.00720 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.