CID 57244474

4-methoxybutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H11ClO3S
SMILES
COCCCCS(=O)(=O)Cl
InChI
InChI=1S/C5H11ClO3S/c1-9-4-2-3-5-10(6,7)8/h2-5H2,1H3
InChIKey
FFNGZJPZIPGEAQ-UHFFFAOYSA-N
Compound name
4-methoxybutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
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 134.1
[M+Na]+ 209.00097 143.1
[M-H]- 185.00447 135.0
[M+NH4]+ 204.04557 155.4
[M+K]+ 224.97491 140.5
[M+H-H2O]+ 169.00901 130.8
[M+HCOO]- 231.00995 147.8
[M+CH3COO]- 245.02560 176.5
[M+Na-2H]- 206.98642 138.5
[M]+ 186.01120 141.1
[M]- 186.01230 141.1
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