CID 58515603

1239720-18-3

Structural Information

Molecular Formula

C₇H₃BrClFN₂

SMILES

C1=C(C=C(C2=C1NC(=N2)Cl)Br)F

InChI

InChI=1S/C7H3BrClFN2/c8-4-1-3(10)2-5-6(4)12-7(9)11-5/h1-2H,(H,11,12)

InChIKey

GHLNAFHYJUECRO-UHFFFAOYSA-N

Compound name

4-bromo-2-chloro-6-fluoro-1H-benzimidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 247.91522 Da
Monoisotopic Mass: 3.2
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]+	248.92250	138.5
[M+Na]+	270.90444	155.5
[M-H]-	246.90794	141.8
[M+NH4]+	265.94904	160.7
[M+K]+	286.87838	141.5
[M+H-H2O]+	230.91248	138.5
[M+HCOO]-	292.91342	154.0
[M+CH3COO]-	306.92907	154.3
[M+Na-2H]-	268.88989	146.6
[M]+	247.91467	158.4
[M]-	247.91577	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe