CID 2736847

959582-30-0

Structural Information

Molecular Formula
C6H5ClO5S
SMILES
COC(=O)C1=C(C=CO1)S(=O)(=O)Cl
InChI
InChI=1S/C6H5ClO5S/c1-11-6(8)5-4(2-3-12-5)13(7,9)10/h2-3H,1H3
InChIKey
JOOQJQRSRTWKON-UHFFFAOYSA-N
Compound name
methyl 3-chlorosulfonylfuran-2-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]+ 224.96190 140.0
[M+Na]+ 246.94384 150.9
[M-H]- 222.94734 145.8
[M+NH4]+ 241.98844 160.3
[M+K]+ 262.91778 149.8
[M+H-H2O]+ 206.95188 136.8
[M+HCOO]- 268.95282 154.8
[M+CH3COO]- 282.96847 179.4
[M+Na-2H]- 244.92929 144.1
[M]+ 223.95407 148.4
[M]- 223.95517 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.