CID 21985828

401567-12-2

Structural Information

Molecular Formula

C₈H₆ClFN₂

SMILES

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

InChI

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

InChIKey

ZOHVWGDSBHMZLO-UHFFFAOYSA-N

Compound name

2-chloro-5-fluoro-1-methylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 72
Patents: 184.02036 Da
Monoisotopic Mass: 2.9
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