CID 131585942

{2,9-dioxaspiro[5.5]undecan-3-yl}methanesulfonyl chloride

Structural Information

Molecular Formula
C10H17ClO4S
SMILES
C1CC2(CCOCC2)COC1CS(=O)(=O)Cl
InChI
InChI=1S/C10H17ClO4S/c11-16(12,13)7-9-1-2-10(8-15-9)3-5-14-6-4-10/h9H,1-8H2
InChIKey
NSWQTOYJKRCKFG-UHFFFAOYSA-N
Compound name
2,9-dioxaspiro[5.5]undecan-3-ylmethanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.05362 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.06090 153.1
[M+Na]+ 291.04284 158.4
[M-H]- 267.04634 159.1
[M+NH4]+ 286.08744 170.2
[M+K]+ 307.01678 158.0
[M+H-H2O]+ 251.05088 149.0
[M+HCOO]- 313.05182 158.9
[M+CH3COO]- 327.06747 187.0
[M+Na-2H]- 289.02829 159.2
[M]+ 268.05307 152.8
[M]- 268.05417 152.8
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.