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]+ 169.00845 121.6
[M+Na]+ 190.99039 129.4
[M-H]- 166.99389 125.6
[M+NH4]+ 186.03499 137.1
[M+K]+ 206.96433 129.6
[M+H-H2O]+ 150.99843 113.0
[M+HCOO]- 212.99937 133.6
[M+CH3COO]- 227.01502 177.2
[M+Na-2H]- 188.97584 125.5
[M]+ 168.00062 133.2
[M]- 168.00172 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