CID 146049912

Spiro[3.4]octane-2-sulfonyl chloride

Structural Information

Molecular Formula
C8H13ClO2S
SMILES
C1CCC2(C1)CC(C2)S(=O)(=O)Cl
InChI
InChI=1S/C8H13ClO2S/c9-12(10,11)7-5-8(6-7)3-1-2-4-8/h7H,1-6H2
InChIKey
WSHIOHUVBYMEEB-UHFFFAOYSA-N
Compound name
spiro[3.4]octane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.03249 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.03977 134.1
[M+Na]+ 231.02171 140.8
[M-H]- 207.02521 139.7
[M+NH4]+ 226.06631 151.7
[M+K]+ 246.99565 140.2
[M+H-H2O]+ 191.02975 126.5
[M+HCOO]- 253.03069 144.9
[M+CH3COO]- 267.04634 181.1
[M+Na-2H]- 229.00716 137.8
[M]+ 208.03194 143.4
[M]- 208.03304 143.4
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.