CID 138040903

2243514-46-5

Structural Information

Molecular Formula
C6H10Cl2O2S
SMILES
C1CC(C1)(CS(=O)(=O)Cl)CCl
InChI
InChI=1S/C6H10Cl2O2S/c7-4-6(2-1-3-6)5-11(8,9)10/h1-5H2
InChIKey
XNZGNTPDMJQXFW-UHFFFAOYSA-N
Compound name
[1-(chloromethyl)cyclobutyl]methanesulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.97786 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.98514 129.5
[M+Na]+ 238.96708 137.2
[M-H]- 214.97058 132.8
[M+NH4]+ 234.01168 145.3
[M+K]+ 254.94102 135.6
[M+H-H2O]+ 198.97512 122.9
[M+HCOO]- 260.97606 136.6
[M+CH3COO]- 274.99171 183.2
[M+Na-2H]- 236.95253 134.6
[M]+ 215.97731 142.0
[M]- 215.97841 142.0
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.