CID 393990

2-[(4-nitrophenoxy)methyl]-1h-benzimidazole

Structural Information

Molecular Formula
C14H11N3O3
SMILES
C1=CC=C2C(=C1)NC(=N2)COC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H11N3O3/c18-17(19)10-5-7-11(8-6-10)20-9-14-15-12-3-1-2-4-13(12)16-14/h1-8H,9H2,(H,15,16)
InChIKey
FLLWAOLNQOLQCD-UHFFFAOYSA-N
Compound name
2-[(4-nitrophenoxy)methyl]-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

269.08005 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.08733 156.3
[M+Na]+ 292.06927 164.4
[M-H]- 268.07277 160.8
[M+NH4]+ 287.11387 170.9
[M+K]+ 308.04321 155.5
[M+H-H2O]+ 252.07731 152.1
[M+HCOO]- 314.07825 179.7
[M+CH3COO]- 328.09390 188.0
[M+Na-2H]- 290.05472 165.7
[M]+ 269.07950 156.2
[M]- 269.08060 156.2
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