CID 66324010

2-(cyclopentylmethoxy)ethane-1-sulfonyl chloride

Structural Information

Molecular Formula
C8H15ClO3S
SMILES
C1CCC(C1)COCCS(=O)(=O)Cl
InChI
InChI=1S/C8H15ClO3S/c9-13(10,11)6-5-12-7-8-3-1-2-4-8/h8H,1-7H2
InChIKey
XUULMOBJJUZANO-UHFFFAOYSA-N
Compound name
2-(cyclopentylmethoxy)ethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.04305 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.05033 149.5
[M+Na]+ 249.03227 156.8
[M-H]- 225.03577 152.8
[M+NH4]+ 244.07687 170.7
[M+K]+ 265.00621 153.7
[M+H-H2O]+ 209.04031 145.4
[M+HCOO]- 271.04125 161.8
[M+CH3COO]- 285.05690 181.6
[M+Na-2H]- 247.01772 150.9
[M]+ 226.04250 153.3
[M]- 226.04360 153.3
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.