CID 131586045

Spiro[3.3]heptane-2-sulfonyl chloride

Structural Information

Molecular Formula
C7H11ClO2S
SMILES
C1CC2(C1)CC(C2)S(=O)(=O)Cl
InChI
InChI=1S/C7H11ClO2S/c8-11(9,10)6-4-7(5-6)2-1-3-7/h6H,1-5H2
InChIKey
IFMBMRPYEOPUCT-UHFFFAOYSA-N
Compound name
spiro[3.3]heptane-2-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.01683 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02411 117.7
[M+Na]+ 217.00605 122.8
[M-H]- 193.00955 122.8
[M+NH4]+ 212.05065 126.9
[M+K]+ 232.97999 125.3
[M+H-H2O]+ 177.01409 105.7
[M+HCOO]- 239.01503 127.2
[M+CH3COO]- 253.03068 189.6
[M+Na-2H]- 214.99150 123.4
[M]+ 194.01628 135.4
[M]- 194.01738 135.4
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.