CID 120207

2-(3-fluorophenyl)-1h-benzimidazole

Structural Information

Molecular Formula
C13H9FN2
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC(=CC=C3)F
InChI
InChI=1S/C13H9FN2/c14-10-5-3-4-9(8-10)13-15-11-6-1-2-7-12(11)16-13/h1-8H,(H,15,16)
InChIKey
WNDVNZISLWPOLI-UHFFFAOYSA-N
Compound name
2-(3-fluorophenyl)-1H-benzimidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

47
Patents

212.07498 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.08226 142.5
[M+Na]+ 235.06420 153.7
[M-H]- 211.06770 145.8
[M+NH4]+ 230.10880 160.9
[M+K]+ 251.03814 147.4
[M+H-H2O]+ 195.07224 133.8
[M+HCOO]- 257.07318 164.2
[M+CH3COO]- 271.08883 155.7
[M+Na-2H]- 233.04965 150.0
[M]+ 212.07443 141.3
[M]- 212.07553 141.3
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