CID 72897

3-nitrodibenzofuran

Structural Information

Molecular Formula
C12H7NO3
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C12H7NO3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H
InChIKey
UVFAHDAUVZRVCC-UHFFFAOYSA-N
Compound name
3-nitrodibenzofuran
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

120
Patents

213.04259 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.049866 140.0
[M+Na]+ 236.031808 149.9
[M-H]- 212.035314 147.2
[M+NH4]+ 231.076413 160.6
[M+K]+ 252.005748 143.7
[M+H-H2O]+ 196.039850 138.9
[M+HCOO]- 258.040791 165.8
[M+CH3COO]- 272.056441 181.2
[M+Na-2H]- 234.017256 151.8
[M]+ 213.04204142 142.4
[M]- 213.04313858 142.4
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