CID 693264

5-iodo-2-furaldehyde

Structural Information

Molecular Formula
C5H3IO2
SMILES
C1=C(OC(=C1)I)C=O
InChI
InChI=1S/C5H3IO2/c6-5-2-1-4(3-7)8-5/h1-3H
InChIKey
QPGPCPKDVSPJAY-UHFFFAOYSA-N
Compound name
5-iodofuran-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

83
Patents

221.91779 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.92507 127.2
[M+Na]+ 244.90701 130.1
[M-H]- 220.91051 125.1
[M+NH4]+ 239.95161 145.4
[M+K]+ 260.88095 136.1
[M+H-H2O]+ 204.91505 119.2
[M+HCOO]- 266.91599 148.0
[M+CH3COO]- 280.93164 175.8
[M+Na-2H]- 242.89246 122.8
[M]+ 221.91724 127.0
[M]- 221.91834 127.0
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