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

1
Patents

207.06439 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.071666 139.7
[M+Na]+ 230.053608 149.1
[M-H]- 206.057114 141.3
[M+NH4]+ 225.098213 157.5
[M+K]+ 246.027548 142.1
[M+H-H2O]+ 190.061650 137.3
[M+HCOO]- 252.062591 163.5
[M+CH3COO]- 266.078241 176.8
[M+Na-2H]- 228.039056 149.4
[M]+ 207.06384142 140.5
[M]- 207.06493858 140.5
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

patents stripe