CID 11970641

5-(iodomethyl)-2-furaldehyde

Structural Information

Molecular Formula
C6H5IO2
SMILES
C1=C(OC(=C1)C=O)CI
InChI
InChI=1S/C6H5IO2/c7-3-5-1-2-6(4-8)9-5/h1-2,4H,3H2
InChIKey
BOQNBJCFILUPHH-UHFFFAOYSA-N
Compound name
5-(iodomethyl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

235.93343 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.940706 132.3
[M+Na]+ 258.922648 134.8
[M-H]- 234.926154 130.0
[M+NH4]+ 253.967253 149.9
[M+K]+ 274.896588 140.5
[M+H-H2O]+ 218.930690 124.0
[M+HCOO]- 280.931631 152.7
[M+CH3COO]- 294.947281 178.6
[M+Na-2H]- 256.908096 127.3
[M]+ 235.93288142 132.3
[M]- 235.93397858 132.3
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