CID 165605126

Methyl2-[3-(chlorosulfonyl)cyclobutyl]acetate

Structural Information

Molecular Formula
C7H11ClO4S
SMILES
COC(=O)CC1CC(C1)S(=O)(=O)Cl
InChI
InChI=1S/C7H11ClO4S/c1-12-7(9)4-5-2-6(3-5)13(8,10)11/h5-6H,2-4H2,1H3
InChIKey
BPYYDFHJNCUUKC-UHFFFAOYSA-N
Compound name
methyl 2-(3-chlorosulfonylcyclobutyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.00665 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01393 135.9
[M+Na]+ 248.99587 142.2
[M-H]- 224.99937 139.5
[M+NH4]+ 244.04047 148.7
[M+K]+ 264.96981 142.9
[M+H-H2O]+ 209.00391 126.5
[M+HCOO]- 271.00485 146.9
[M+CH3COO]- 285.02050 186.2
[M+Na-2H]- 246.98132 138.0
[M]+ 226.00610 149.6
[M]- 226.00720 149.6
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.