CID 145915569

2402829-27-8

Structural Information

Molecular Formula
C9H15ClO3S
SMILES
C1CC2(CCOCC2)CC1S(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO3S/c10-14(11,12)8-1-2-9(7-8)3-5-13-6-4-9/h8H,1-7H2
InChIKey
LNJQQUWMORLSMB-UHFFFAOYSA-N
Compound name
8-oxaspiro[4.5]decane-3-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04305 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05033 149.5
[M+Na]+ 261.03227 156.5
[M-H]- 237.03577 155.4
[M+NH4]+ 256.07687 171.1
[M+K]+ 277.00621 154.5
[M+H-H2O]+ 221.04031 146.4
[M+HCOO]- 283.04125 158.2
[M+CH3COO]- 297.05690 181.1
[M+Na-2H]- 259.01772 153.3
[M]+ 238.04250 149.0
[M]- 238.04360 149.0
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.