CID 458257

4-iododibenzofuran

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

361
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.