CID 137698785

2138218-68-3

Structural Information

Molecular Formula
C9H13ClO5S
SMILES
C1COCCC12CC(=O)OC2CS(=O)(=O)Cl
InChI
InChI=1S/C9H13ClO5S/c10-16(12,13)6-7-9(5-8(11)15-7)1-3-14-4-2-9/h7H,1-6H2
InChIKey
QUIXAMDJNRIZEZ-UHFFFAOYSA-N
Compound name
(3-oxo-2,8-dioxaspiro[4.5]decan-1-yl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.0172 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.02448 152.4
[M+Na]+ 291.00642 160.2
[M-H]- 267.00992 159.3
[M+NH4]+ 286.05102 171.6
[M+K]+ 306.98036 159.7
[M+H-H2O]+ 251.01446 149.9
[M+HCOO]- 313.01540 160.9
[M+CH3COO]- 327.03105 186.0
[M+Na-2H]- 288.99187 157.3
[M]+ 268.01665 155.1
[M]- 268.01775 155.1
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.