CID 102896301

{1-oxaspiro[4.4]nonan-2-yl}methanesulfonyl chloride

Structural Information

Molecular Formula
C9H15ClO3S
SMILES
C1CCC2(C1)CCC(O2)CS(=O)(=O)Cl
InChI
InChI=1S/C9H15ClO3S/c10-14(11,12)7-8-3-6-9(13-8)4-1-2-5-9/h8H,1-7H2
InChIKey
UOTWCQDVUAUMMS-UHFFFAOYSA-N
Compound name
1-oxaspiro[4.4]nonan-2-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.04305 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.05033 152.9
[M+Na]+ 261.03227 161.0
[M-H]- 237.03577 159.2
[M+NH4]+ 256.07687 176.4
[M+K]+ 277.00621 158.9
[M+H-H2O]+ 221.04031 150.5
[M+HCOO]- 283.04125 163.7
[M+CH3COO]- 297.05690 181.1
[M+Na-2H]- 259.01772 155.2
[M]+ 238.04250 154.5
[M]- 238.04360 154.5
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.