CID 103564836

3-methylcyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C5H9ClO2S
SMILES
CC1CC(C1)S(=O)(=O)Cl
InChI
InChI=1S/C5H9ClO2S/c1-4-2-5(3-4)9(6,7)8/h4-5H,2-3H2,1H3
InChIKey
BNGUSXMRIZCYFN-UHFFFAOYSA-N
Compound name
3-methylcyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.00117 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.008446 121.6
[M+Na]+ 190.990388 129.4
[M-H]- 166.993894 125.6
[M+NH4]+ 186.034993 137.1
[M+K]+ 206.964328 129.6
[M+H-H2O]+ 150.998430 113.0
[M+HCOO]- 212.999371 133.6
[M+CH3COO]- 227.015021 177.2
[M+Na-2H]- 188.975836 125.5
[M]+ 168.00062142 133.2
[M]- 168.00171858 133.2
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

patents stripe