CID 132343949

2-chloro-5-sulfamoylfuran-3-carboxylic acid

Structural Information

Molecular Formula
C5H4ClNO5S
SMILES
C1=C(OC(=C1C(=O)O)Cl)S(=O)(=O)N
InChI
InChI=1S/C5H4ClNO5S/c6-4-2(5(8)9)1-3(12-4)13(7,10)11/h1H,(H,8,9)(H2,7,10,11)
InChIKey
BOTOQTVQGHMWCC-UHFFFAOYSA-N
Compound name
2-chloro-5-sulfamoylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.94987 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.957146 140.3
[M+Na]+ 247.939088 150.7
[M-H]- 223.942594 144.2
[M+NH4]+ 242.983693 159.2
[M+K]+ 263.913028 148.3
[M+H-H2O]+ 207.947130 137.0
[M+HCOO]- 269.948071 154.0
[M+CH3COO]- 283.963721 180.3
[M+Na-2H]- 245.924536 143.2
[M]+ 224.94932142 145.0
[M]- 224.95041858 145.0
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.