CID 47003447

53439-89-7

Structural Information

Molecular Formula

C₉H₉BrN₂O

SMILES

CN1C2=C(C=C(C=C2)Br)N(C1=O)C

InChI

InChI=1S/C9H9BrN2O/c1-11-7-4-3-6(10)5-8(7)12(2)9(11)13/h3-5H,1-2H3

InChIKey

HFZWRJFAGBJEFX-UHFFFAOYSA-N

Compound name

5-bromo-1,3-dimethylbenzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 151
Patents: 239.98982 Da
Monoisotopic Mass: 2.2
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]+	240.99710	144.9
[M+Na]+	262.97904	150.3
[M+NH4]+	258.02364	149.7
[M+K]+	278.95298	151.1
[M-H]-	238.98254	144.8
[M+Na-2H]-	260.96449	147.9
[M]+	239.98927	144.5
[M]-	239.99037	144.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe