CID 122385876

2-iodofuran-3-carbonitrile

Structural Information

Molecular Formula
C5H2INO
SMILES
C1=COC(=C1C#N)I
InChI
InChI=1S/C5H2INO/c6-5-4(3-7)1-2-8-5/h1-2H
InChIKey
NLHGGGRPKFRUTP-UHFFFAOYSA-N
Compound name
2-iodofuran-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.9181 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.92538 127.6
[M+Na]+ 241.90732 132.9
[M-H]- 217.91082 125.6
[M+NH4]+ 236.95192 144.1
[M+K]+ 257.88126 136.9
[M+H-H2O]+ 201.91536 113.3
[M+HCOO]- 263.91630 144.8
[M+CH3COO]- 277.93195 188.4
[M+Na-2H]- 239.89277 124.0
[M]+ 218.91755 122.0
[M]- 218.91865 122.0
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

No patent data available for this compound.