CID 3065146

2-furaldehyde, 5-(5-nitro-2-benzimidazolyl)-

Structural Information

Molecular Formula
C12H7N3O4
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])NC(=N2)C3=CC=C(O3)C=O
InChI
InChI=1S/C12H7N3O4/c16-6-8-2-4-11(19-8)12-13-9-3-1-7(15(17)18)5-10(9)14-12/h1-6H,(H,13,14)
InChIKey
GZZNEPFCIRGLGW-UHFFFAOYSA-N
Compound name
5-(6-nitro-1H-benzimidazol-2-yl)furan-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.04367 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.05095 151.8
[M+Na]+ 280.03289 161.6
[M-H]- 256.03639 158.0
[M+NH4]+ 275.07749 167.6
[M+K]+ 296.00683 154.6
[M+H-H2O]+ 240.04093 149.2
[M+HCOO]- 302.04187 176.0
[M+CH3COO]- 316.05752 184.6
[M+Na-2H]- 278.01834 159.8
[M]+ 257.04312 153.5
[M]- 257.04422 153.5
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.