CID 13564029

103784-04-9

Structural Information

Molecular Formula

C₁₀H₁₁BrN₂O

SMILES

C1=CC=C2C(=C1)NC(=O)N2CCCBr

InChI

InChI=1S/C10H11BrN2O/c11-6-3-7-13-9-5-2-1-4-8(9)12-10(13)14/h1-2,4-5H,3,6-7H2,(H,12,14)

InChIKey

MTCFXOOPGLLIDK-UHFFFAOYSA-N

Compound name

3-(3-bromopropyl)-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 254.00548 Da
Monoisotopic Mass: 1.9
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]+	255.01276	151.1
[M+Na]+	276.99470	155.1
[M+NH4]+	272.03930	155.4
[M+K]+	292.96864	155.6
[M-H]-	252.99820	150.4
[M+Na-2H]-	274.98015	153.6
[M]+	254.00493	150.2
[M]-	254.00603	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe