CID 115650250

3-methoxybutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H11ClO3S
SMILES
CC(CCS(=O)(=O)Cl)OC
InChI
InChI=1S/C5H11ClO3S/c1-5(9-2)3-4-10(6,7)8/h5H,3-4H2,1-2H3
InChIKey
GJIWHEBLIRPXMS-UHFFFAOYSA-N
Compound name
3-methoxybutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.01175 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.01903 133.6
[M+Na]+ 209.00097 142.3
[M-H]- 185.00447 134.6
[M+NH4]+ 204.04557 154.8
[M+K]+ 224.97491 140.2
[M+H-H2O]+ 169.00901 130.4
[M+HCOO]- 231.00995 146.3
[M+CH3COO]- 245.02560 177.3
[M+Na-2H]- 206.98642 136.9
[M]+ 186.01120 140.0
[M]- 186.01230 140.0
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.