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 148.0
[M+Na]+ 260.95950 157.9
[M+NH4]+ 256.00410 154.1
[M+K]+ 276.93344 154.9
[M-H]- 236.96300 147.3
[M+Na-2H]- 258.94495 149.7
[M]+ 237.96973 149.6
[M]- 237.97083 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.