CID 223327

2-iododibenzofuran

Structural Information

Molecular Formula
C12H7IO
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC(=C3)I
InChI
InChI=1S/C12H7IO/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7H
InChIKey
MNKSJEJNCQWHFE-UHFFFAOYSA-N
Compound name
2-iododibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

293.95416 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.96144 138.7
[M+Na]+ 316.94338 143.2
[M-H]- 292.94688 138.4
[M+NH4]+ 311.98798 156.4
[M+K]+ 332.91732 146.0
[M+H-H2O]+ 276.95142 129.9
[M+HCOO]- 338.95236 158.2
[M+CH3COO]- 352.96801 149.9
[M+Na-2H]- 314.92883 137.2
[M]+ 293.95361 139.5
[M]- 293.95471 139.5
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