CID 165747251

2803855-51-6

Structural Information

Molecular Formula
C6H9ClO3S
SMILES
CC1(CC(=O)C1)CS(=O)(=O)Cl
InChI
InChI=1S/C6H9ClO3S/c1-6(2-5(8)3-6)4-11(7,9)10/h2-4H2,1H3
InChIKey
VHZAIWSHEPOQJX-UHFFFAOYSA-N
Compound name
(1-methyl-3-oxocyclobutyl)methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.9961 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.003376 128.1
[M+Na]+ 218.985318 136.0
[M-H]- 194.988824 132.1
[M+NH4]+ 214.029923 144.2
[M+K]+ 234.959258 136.0
[M+H-H2O]+ 178.993360 120.6
[M+HCOO]- 240.994301 140.1
[M+CH3COO]- 255.009951 180.7
[M+Na-2H]- 216.970766 133.0
[M]+ 195.99555142 141.0
[M]- 195.99664858 141.0
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.