CID 130555241

2,2-dimethylcyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H11ClO2S
SMILES
CC1(CCC1S(=O)(=O)Cl)C
InChI
InChI=1S/C6H11ClO2S/c1-6(2)4-3-5(6)10(7,8)9/h5H,3-4H2,1-2H3
InChIKey
PFDZRJPDXGYMIQ-UHFFFAOYSA-N
Compound name
2,2-dimethylcyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.01683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.02411 126.2
[M+Na]+ 205.00605 134.2
[M-H]- 181.00955 130.3
[M+NH4]+ 200.05065 143.1
[M+K]+ 220.97999 134.2
[M+H-H2O]+ 165.01409 118.9
[M+HCOO]- 227.01503 137.9
[M+CH3COO]- 241.03068 179.7
[M+Na-2H]- 202.99150 131.0
[M]+ 182.01628 138.5
[M]- 182.01738 138.5
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.