CID 130966099

1936007-80-5

Structural Information

Molecular Formula
C7H7ClO5S
SMILES
CCC1=C(C=C(O1)C(=O)O)S(=O)(=O)Cl
InChI
InChI=1S/C7H7ClO5S/c1-2-4-6(14(8,11)12)3-5(13-4)7(9)10/h3H,2H2,1H3,(H,9,10)
InChIKey
TVVLPOWYPUBDCK-UHFFFAOYSA-N
Compound name
4-chlorosulfonyl-5-ethylfuran-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.97028 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.97756 144.0
[M+Na]+ 260.95950 154.7
[M-H]- 236.96300 148.4
[M+NH4]+ 256.00410 163.1
[M+K]+ 276.93344 152.4
[M+H-H2O]+ 220.96754 141.0
[M+HCOO]- 282.96848 156.9
[M+CH3COO]- 296.98413 181.8
[M+Na-2H]- 258.94495 146.6
[M]+ 237.96973 151.3
[M]- 237.97083 151.3
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.