CID 22387237

4-(5-fluoro-1h-1,3-benzodiazol-2-yl)aniline

Structural Information

Molecular Formula

C₁₃H₁₀FN₃

SMILES

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

InChI

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

InChIKey

OHGFHBIPTNBMQE-UHFFFAOYSA-N

Compound name

4-(6-fluoro-1H-benzimidazol-2-yl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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]+	228.093156	146.7
[M+Na]+	250.075098	157.9
[M-H]-	226.078604	149.9
[M+NH4]+	245.119703	164.2
[M+K]+	266.049038	151.2
[M+H-H2O]+	210.083140	137.9
[M+HCOO]-	272.084081	168.8
[M+CH3COO]-	286.099731	159.4
[M+Na-2H]-	248.060546	153.1
[M]+	227.08533142	144.3
[M]-	227.08642858	144.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe