CID 138039759

2241139-68-2

Structural Information

Molecular Formula
C8H15ClO3S
SMILES
CC(C)O[C@@H]1CCC[C@@H]1S(=O)(=O)Cl
InChI
InChI=1S/C8H15ClO3S/c1-6(2)12-7-4-3-5-8(7)13(9,10)11/h6-8H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKey
KTUVFSDRZNBXSL-SFYZADRCSA-N
Compound name
(1S,2R)-2-propan-2-yloxycyclopentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04305 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05033 148.1
[M+Na]+ 249.03227 156.1
[M-H]- 225.03577 152.0
[M+NH4]+ 244.07687 169.6
[M+K]+ 265.00621 153.4
[M+H-H2O]+ 209.04031 144.6
[M+HCOO]- 271.04125 159.5
[M+CH3COO]- 285.05690 183.5
[M+Na-2H]- 247.01772 148.1
[M]+ 226.04250 151.8
[M]- 226.04360 151.8
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.