CID 55279944

2-(pyrrolidin-1-yl)ethane-1-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C6H12ClNO2S
SMILES
C1CCN(C1)CCS(=O)(=O)Cl
InChI
InChI=1S/C6H12ClNO2S/c7-11(9,10)6-5-8-3-1-2-4-8/h1-6H2
InChIKey
HTYRRGFPVSIIBO-UHFFFAOYSA-N
Compound name
2-pyrrolidin-1-ylethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.02773 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.035006 141.1
[M+Na]+ 220.016948 149.5
[M-H]- 196.020454 143.4
[M+NH4]+ 215.061553 162.2
[M+K]+ 235.990888 146.5
[M+H-H2O]+ 180.024990 136.5
[M+HCOO]- 242.025931 152.6
[M+CH3COO]- 256.041581 176.2
[M+Na-2H]- 218.002396 143.2
[M]+ 197.02718142 143.2
[M]- 197.02827858 143.2
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