CID 21248416

115835-43-3

Structural Information

Molecular Formula

C₁₄H₁₀ClFN₂

SMILES

C1=CC=C2C(=C1)N=C(N2C3=CC(=CC=C3)F)CCl

InChI

InChI=1S/C14H10ClFN2/c15-9-14-17-12-6-1-2-7-13(12)18(14)11-5-3-4-10(16)8-11/h1-8H,9H2

InChIKey

GWBGRYRQWMFHKH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 260.05167 Da
Monoisotopic Mass: 3.6
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]+	261.05895	154.2
[M+Na]+	283.04089	167.0
[M-H]-	259.04439	158.6
[M+NH4]+	278.08549	172.4
[M+K]+	299.01483	159.6
[M+H-H2O]+	243.04893	145.2
[M+HCOO]-	305.04987	172.2
[M+CH3COO]-	319.06552	167.4
[M+Na-2H]-	281.02634	160.1
[M]+	260.05112	157.5
[M]-	260.05222	157.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe