CID 17010630

850705-30-5

Structural Information

Molecular Formula

C₁₄H₉FN₂O₂

SMILES

C1=CC(=CC=C1C2=NC3=C(N2)C=C(C=C3)C(=O)O)F

InChI

InChI=1S/C14H9FN2O2/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(18)19)7-12(11)17-13/h1-7H,(H,16,17)(H,18,19)

InChIKey

YLECAKVNZMDMNS-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-3H-benzimidazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 6
Patents: 256.06482 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.07210	155.4
[M+Na]+	279.05404	169.4
[M+NH4]+	274.09864	162.3
[M+K]+	295.02798	164.8
[M-H]-	255.05754	156.4
[M+Na-2H]-	277.03949	162.4
[M]+	256.06427	157.5
[M]-	256.06537	157.5

Literature stripe

literature stripe

Patent stripe

patents stripe