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]+ 225.95715 140.3
[M+Na]+ 247.93909 150.7
[M-H]- 223.94259 144.2
[M+NH4]+ 242.98369 159.2
[M+K]+ 263.91303 148.3
[M+H-H2O]+ 207.94713 137.0
[M+HCOO]- 269.94807 154.0
[M+CH3COO]- 283.96372 180.3
[M+Na-2H]- 245.92454 143.2
[M]+ 224.94932 145.0
[M]- 224.95042 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.