CID 79630918

1528623-85-9

Structural Information

Molecular Formula

C₁₀H₈BrFN₂O₂

SMILES

CCOC(=O)C1=NC2=CC(=C(C=C2N1)F)Br

InChI

InChI=1S/C10H8BrFN2O2/c1-2-16-10(15)9-13-7-3-5(11)6(12)4-8(7)14-9/h3-4H,2H2,1H3,(H,13,14)

InChIKey

KGEUIRFOQOFHBE-UHFFFAOYSA-N

Compound name

ethyl 5-bromo-6-fluoro-1H-benzimidazole-2-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 285.9753 Da
Monoisotopic Mass: 2.8
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]+	286.982576	152.5
[M+Na]+	308.964518	166.9
[M-H]-	284.968024	155.7
[M+NH4]+	304.009123	172.1
[M+K]+	324.938458	154.9
[M+H-H2O]+	268.972560	151.3
[M+HCOO]-	330.973501	171.0
[M+CH3COO]-	344.989151	193.5
[M+Na-2H]-	306.949966	158.2
[M]+	285.97475142	172.9
[M]-	285.97584858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.