CID 99110085

3-(pyrrolidin-1-yl)propane-1-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C7H14ClNO2S
SMILES
C1CCN(C1)CCCS(=O)(=O)Cl
InChI
InChI=1S/C7H14ClNO2S/c8-12(10,11)7-3-6-9-4-1-2-5-9/h1-7H2
InChIKey
KUMOHKDNDIZOCW-UHFFFAOYSA-N
Compound name
3-pyrrolidin-1-ylpropane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.04338 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05066 145.6
[M+Na]+ 234.03260 153.5
[M-H]- 210.03610 147.7
[M+NH4]+ 229.07720 166.1
[M+K]+ 250.00654 150.3
[M+H-H2O]+ 194.04064 140.7
[M+HCOO]- 256.04158 156.7
[M+CH3COO]- 270.05723 179.2
[M+Na-2H]- 232.01805 147.1
[M]+ 211.04283 148.0
[M]- 211.04393 148.0
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.