CID 200522

2-(2-nitrophenyl)-1h-benzimidazole

Structural Information

Molecular Formula
C13H9N3O2
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]
InChI
InChI=1S/C13H9N3O2/c17-16(18)12-8-4-1-5-9(12)13-14-10-6-2-3-7-11(10)15-13/h1-8H,(H,14,15)
InChIKey
QJPPXVVTXDVWAF-UHFFFAOYSA-N
Compound name
2-(2-nitrophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

23
Patents

239.06947 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07675 148.5
[M+Na]+ 262.05869 157.3
[M-H]- 238.06219 153.2
[M+NH4]+ 257.10329 164.5
[M+K]+ 278.03263 148.1
[M+H-H2O]+ 222.06673 144.7
[M+HCOO]- 284.06767 172.1
[M+CH3COO]- 298.08332 182.9
[M+Na-2H]- 260.04414 158.3
[M]+ 239.06892 146.8
[M]- 239.07002 146.8
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