CID 83828805

2-chloro-4-fluoro-1-methyl-1h-1,3-benzodiazole

Structural Information

Molecular Formula

C₈H₆ClFN₂

SMILES

CN1C2=C(C(=CC=C2)F)N=C1Cl

InChI

InChI=1S/C8H6ClFN2/c1-12-6-4-2-3-5(10)7(6)11-8(12)9/h2-4H,1H3

InChIKey

RUKXJDUUGYFPEA-UHFFFAOYSA-N

Compound name

2-chloro-4-fluoro-1-methylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 184.02036 Da
Monoisotopic Mass: 2.5
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]+	185.02764	131.3
[M+Na]+	207.00958	146.8
[M+NH4]+	202.05418	140.5
[M+K]+	222.98352	140.9
[M-H]-	183.01308	132.1
[M+Na-2H]-	204.99503	138.6
[M]+	184.01981	134.1
[M]-	184.02091	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe