CID 722124

84941-16-2

Structural Information

Molecular Formula

C₉H₈F₂N₂

SMILES

CC1=NC2=CC=CC=C2N1C(F)F

InChI

InChI=1S/C9H8F2N2/c1-6-12-7-4-2-3-5-8(7)13(6)9(10)11/h2-5,9H,1H3

InChIKey

AJRUWLNEYCWDTC-UHFFFAOYSA-N

Compound name

1-(difluoromethyl)-2-methylbenzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 182.06555 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]+	183.07283	132.7
[M+Na]+	205.05477	144.4
[M-H]-	181.05827	133.0
[M+NH4]+	200.09937	153.4
[M+K]+	221.02871	140.9
[M+H-H2O]+	165.06281	124.3
[M+HCOO]-	227.06375	153.7
[M+CH3COO]-	241.07940	146.7
[M+Na-2H]-	203.04022	138.8
[M]+	182.06500	132.7
[M]-	182.06610	132.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.