CID 3022144

1h-benzimidazole, 2-ethoxy-5-nitro-

Structural Information

Molecular Formula
C9H9N3O3
SMILES
CCOC1=NC2=C(N1)C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O3/c1-2-15-9-10-7-4-3-6(12(13)14)5-8(7)11-9/h3-5H,2H2,1H3,(H,10,11)
InChIKey
XFBAZYJHPLKFLV-UHFFFAOYSA-N
Compound name
2-ethoxy-6-nitro-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.06439 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 139.3
[M+Na]+ 230.05361 152.8
[M+NH4]+ 225.09821 146.7
[M+K]+ 246.02755 151.7
[M-H]- 206.05711 140.9
[M+Na-2H]- 228.03906 145.0
[M]+ 207.06384 141.4
[M]- 207.06494 141.4
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.