CID 755572

124443-67-0

Structural Information

Molecular Formula
C14H11FN2
SMILES
C1=CC=C2C(=C1)N=CN2CC3=CC=C(C=C3)F
InChI
InChI=1S/C14H11FN2/c15-12-7-5-11(6-8-12)9-17-10-16-13-3-1-2-4-14(13)17/h1-8,10H,9H2
InChIKey
QLQZBMMYHJKDSH-UHFFFAOYSA-N
Compound name
1-[(4-fluorophenyl)methyl]benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

71
Patents

226.09062 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09790 147.1
[M+Na]+ 249.07984 158.2
[M-H]- 225.08334 151.5
[M+NH4]+ 244.12444 165.6
[M+K]+ 265.05378 152.6
[M+H-H2O]+ 209.08788 137.8
[M+HCOO]- 271.08882 169.9
[M+CH3COO]- 285.10447 160.5
[M+Na-2H]- 247.06529 154.4
[M]+ 226.09007 148.0
[M]- 226.09117 148.0
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