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]+ 238.977556 144.0
[M+Na]+ 260.959498 154.7
[M-H]- 236.963004 148.4
[M+NH4]+ 256.004103 163.1
[M+K]+ 276.933438 152.4
[M+H-H2O]+ 220.967540 141.0
[M+HCOO]- 282.968481 156.9
[M+CH3COO]- 296.984131 181.8
[M+Na-2H]- 258.944946 146.6
[M]+ 237.96973142 151.3
[M]- 237.97082858 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.