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

110
Patents

171.9961 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.00338 129.5
[M+Na]+ 194.98532 138.9
[M-H]- 170.98882 130.6
[M+NH4]+ 190.02992 151.4
[M+K]+ 210.95926 136.6
[M+H-H2O]+ 154.99336 126.4
[M+HCOO]- 216.99430 143.6
[M+CH3COO]- 231.00995 173.5
[M+Na-2H]- 192.97077 134.4
[M]+ 171.99555 136.2
[M]- 171.99665 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