CID 122163521

(1-methanesulfonylpyrrolidin-3-yl)methanesulfonyl chloride

Structural Information

Molecular Formula
C6H12ClNO4S2
SMILES
CS(=O)(=O)N1CCC(C1)CS(=O)(=O)Cl
InChI
InChI=1S/C6H12ClNO4S2/c1-13(9,10)8-3-2-6(4-8)5-14(7,11)12/h6H,2-5H2,1H3
InChIKey
XLTLUHCBFIGCEO-UHFFFAOYSA-N
Compound name
(1-methylsulfonylpyrrolidin-3-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.98962 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.99690 155.1
[M+Na]+ 283.97884 164.3
[M-H]- 259.98234 157.7
[M+NH4]+ 279.02344 173.7
[M+K]+ 299.95278 160.3
[M+H-H2O]+ 243.98688 151.4
[M+HCOO]- 305.98782 160.4
[M+CH3COO]- 320.00347 185.0
[M+Na-2H]- 281.96429 156.0
[M]+ 260.98907 159.2
[M]- 260.99017 159.2
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

No patent data available for this compound.