CID 155823316

3-ethylbicyclo[1.1.1]pentane-1-sulfonyl chloride

Structural Information

Molecular Formula
C7H11ClO2S
SMILES
CCC12CC(C1)(C2)S(=O)(=O)Cl
InChI
InChI=1S/C7H11ClO2S/c1-2-6-3-7(4-6,5-6)11(8,9)10/h2-5H2,1H3
InChIKey
UGMWOQPUUKFTSV-UHFFFAOYSA-N
Compound name
3-ethylbicyclo[1.1.1]pentane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.01683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.02411 140.4
[M+Na]+ 217.00605 144.5
[M-H]- 193.00955 143.0
[M+NH4]+ 212.05065 146.8
[M+K]+ 232.97999 148.7
[M+H-H2O]+ 177.01409 128.6
[M+HCOO]- 239.01503 146.0
[M+CH3COO]- 253.03068 207.0
[M+Na-2H]- 214.99150 147.5
[M]+ 194.01628 168.3
[M]- 194.01738 168.3
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.