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]+ 212.050656 145.6
[M+Na]+ 234.032598 153.5
[M-H]- 210.036104 147.7
[M+NH4]+ 229.077203 166.1
[M+K]+ 250.006538 150.3
[M+H-H2O]+ 194.040640 140.7
[M+HCOO]- 256.041581 156.7
[M+CH3COO]- 270.057231 179.2
[M+Na-2H]- 232.018046 147.1
[M]+ 211.04283142 148.0
[M]- 211.04392858 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.