CID 3019305

83783-69-1

Structural Information

Molecular Formula

C₁₄H₁₂FN₃

SMILES

C1=CC=C2C(=C1)N=C(N2CC3=CC=C(C=C3)F)N

InChI

InChI=1S/C14H12FN3/c15-11-7-5-10(6-8-11)9-18-13-4-2-1-3-12(13)17-14(18)16/h1-8H,9H2,(H2,16,17)

InChIKey

XEARVXVLEKCISU-UHFFFAOYSA-N

Compound name

1-[(4-fluorophenyl)methyl]benzimidazol-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 16
Patents: 241.10153 Da
Monoisotopic Mass: 2.6
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]+	242.10881	151.9
[M+Na]+	264.09075	166.7
[M+NH4]+	259.13535	160.4
[M+K]+	280.06469	160.4
[M-H]-	240.09425	155.3
[M+Na-2H]-	262.07620	160.8
[M]+	241.10098	155.0
[M]-	241.10208	155.0

Literature stripe

literature stripe

Patent stripe

patents stripe