CID 634525

2,8-diiododibenzofuran

Structural Information

Molecular Formula
C12H6I2O
SMILES
C1=CC2=C(C=C1I)C3=C(O2)C=CC(=C3)I
InChI
InChI=1S/C12H6I2O/c13-7-1-3-11-9(5-7)10-6-8(14)2-4-12(10)15-11/h1-6H
InChIKey
VKTLGHDNPWVFSY-UHFFFAOYSA-N
Compound name
2,8-diiododibenzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

185
Patents

419.8508 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.85808 149.1
[M+Na]+ 442.84002 145.9
[M-H]- 418.84352 143.0
[M+NH4]+ 437.88462 159.7
[M+K]+ 458.81396 154.4
[M+H-H2O]+ 402.84806 137.7
[M+HCOO]- 464.84900 161.4
[M+CH3COO]- 478.86465 154.6
[M+Na-2H]- 440.82547 140.1
[M]+ 419.85025 147.2
[M]- 419.85135 147.2
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