CID 11428395

(4-fluorophenyl)-[2-(2-nitrophenyl)benzimidazol-1-yl]methanone

Structural Information

Molecular Formula
C20H12FN3O3
SMILES
C1=CC=C(C(=C1)C2=NC3=CC=CC=C3N2C(=O)C4=CC=C(C=C4)F)[N+](=O)[O-]
InChI
InChI=1S/C20H12FN3O3/c21-14-11-9-13(10-12-14)20(25)23-18-8-4-2-6-16(18)22-19(23)15-5-1-3-7-17(15)24(26)27/h1-12H
InChIKey
RQMNPQGAQNQKGB-UHFFFAOYSA-N
Compound name
(4-fluorophenyl)-[2-(2-nitrophenyl)benzimidazol-1-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.08627 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.09355 181.8
[M+Na]+ 384.07549 190.1
[M-H]- 360.07899 189.6
[M+NH4]+ 379.12009 192.8
[M+K]+ 400.04943 179.8
[M+H-H2O]+ 344.08353 174.8
[M+HCOO]- 406.08447 203.5
[M+CH3COO]- 420.10012 208.8
[M+Na-2H]- 382.06094 187.3
[M]+ 361.08572 181.1
[M]- 361.08682 181.1
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.