CID 126970933

Methyl 2-(chlorosulfonyl)furan-3-carboxylate

Structural Information

Molecular Formula
C6H5ClO5S
SMILES
COC(=O)C1=C(OC=C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H5ClO5S/c1-11-5(8)4-2-3-12-6(4)13(7,9)10/h2-3H,1H3
InChIKey
HSXINYQGPPRBET-UHFFFAOYSA-N
Compound name
methyl 2-chlorosulfonylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.95462 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.961896 140.0
[M+Na]+ 246.943838 150.9
[M-H]- 222.947344 145.8
[M+NH4]+ 241.988443 160.3
[M+K]+ 262.917778 149.8
[M+H-H2O]+ 206.951880 136.8
[M+HCOO]- 268.952821 154.8
[M+CH3COO]- 282.968471 179.4
[M+Na-2H]- 244.929286 144.1
[M]+ 223.95407142 148.4
[M]- 223.95516858 148.4
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.