CID 68563082

2-iodofuran-3-carboxylic acid

Structural Information

Molecular Formula
C5H3IO3
SMILES
C1=COC(=C1C(=O)O)I
InChI
InChI=1S/C5H3IO3/c6-4-3(5(7)8)1-2-9-4/h1-2H,(H,7,8)
InChIKey
JNHIXEHYXXAQJP-UHFFFAOYSA-N
Compound name
2-iodofuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

237.91269 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.91997 133.5
[M+Na]+ 260.90191 135.5
[M-H]- 236.90541 130.1
[M+NH4]+ 255.94651 150.2
[M+K]+ 276.87585 141.5
[M+H-H2O]+ 220.90995 125.4
[M+HCOO]- 282.91089 152.0
[M+CH3COO]- 296.92654 176.0
[M+Na-2H]- 258.88736 127.2
[M]+ 237.91214 132.1
[M]- 237.91324 132.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe