CID 146049590

2411266-09-4

Structural Information

Molecular Formula
C8H13ClO3S
SMILES
C1COCCC12CC(C2)S(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO3S/c9-13(10,11)7-5-8(6-7)1-3-12-4-2-8/h7H,1-6H2
InChIKey
BOAOXOSWKKXCGF-UHFFFAOYSA-N
Compound name
7-oxaspiro[3.5]nonane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.02739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.03467 131.1
[M+Na]+ 247.01661 136.6
[M-H]- 223.02011 136.8
[M+NH4]+ 242.06121 144.9
[M+K]+ 262.99055 138.0
[M+H-H2O]+ 207.02465 122.7
[M+HCOO]- 269.02559 139.4
[M+CH3COO]- 283.04124 183.4
[M+Na-2H]- 245.00206 137.6
[M]+ 224.02684 140.3
[M]- 224.02794 140.3
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.