CID 23085635

863869-96-9

Structural Information

Molecular Formula

C₁₃H₁₀FN₃

SMILES

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

InChI

InChI=1S/C13H10FN3/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,15H2,(H,16,17)

InChIKey

DMELUAJRVWGKHW-UHFFFAOYSA-N

Compound name

2-(4-fluorophenyl)-3H-benzimidazol-5-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 227.08588 Da
Monoisotopic Mass: 2.7
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]+	228.09316	147.4
[M+Na]+	250.07510	161.9
[M+NH4]+	245.11970	155.7
[M+K]+	266.04904	156.1
[M-H]-	226.07860	150.4
[M+Na-2H]-	248.06055	156.0
[M]+	227.08533	150.2
[M]-	227.08643	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe