CID 20242868

3-methoxypropane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H9ClO3S
SMILES
COCCCS(=O)(=O)Cl
InChI
InChI=1S/C4H9ClO3S/c1-8-3-2-4-9(5,6)7/h2-4H2,1H3
InChIKey
QERBKLODENVLBY-UHFFFAOYSA-N
Compound name
3-methoxypropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

112
Patents

171.9961 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.003376 129.5
[M+Na]+ 194.985318 138.9
[M-H]- 170.988824 130.6
[M+NH4]+ 190.029923 151.4
[M+K]+ 210.959258 136.6
[M+H-H2O]+ 154.993360 126.4
[M+HCOO]- 216.994301 143.6
[M+CH3COO]- 231.009951 173.5
[M+Na-2H]- 192.970766 134.4
[M]+ 171.99555142 136.2
[M]- 171.99664858 136.2
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