CID 165747251

(1-methyl-3-oxocyclobutyl)methanesulfonylchloride

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]+ 197.00338 128.1
[M+Na]+ 218.98532 136.0
[M-H]- 194.98882 132.1
[M+NH4]+ 214.02992 144.2
[M+K]+ 234.95926 136.0
[M+H-H2O]+ 178.99336 120.6
[M+HCOO]- 240.99430 140.1
[M+CH3COO]- 255.00995 180.7
[M+Na-2H]- 216.97077 133.0
[M]+ 195.99555 141.0
[M]- 195.99665 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.