CID 137964162

Spiro[2.3]hexane-5-sulfonyl chloride

Structural Information

Molecular Formula
C6H9ClO2S
SMILES
C1CC12CC(C2)S(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO2S/c7-10(8,9)5-3-6(4-5)1-2-6/h5H,1-4H2
InChIKey
JOVLZHAMXFIUQO-UHFFFAOYSA-N
Compound name
spiro[2.3]hexane-5-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.00117 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.008446 122.5
[M+Na]+ 202.990388 131.5
[M-H]- 178.993894 129.1
[M+NH4]+ 198.034993 134.9
[M+K]+ 218.964328 131.4
[M+H-H2O]+ 162.998430 114.5
[M+HCOO]- 224.999371 134.4
[M+CH3COO]- 239.015021 180.9
[M+Na-2H]- 200.975836 129.0
[M]+ 180.00062142 135.8
[M]- 180.00171858 135.8
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.