CID 99973175

1820665-78-8

Structural Information

Molecular Formula

C₈H₆BrFN₂O

SMILES

CN1C2=C(C=C(C=C2Br)F)NC1=O

InChI

InChI=1S/C8H6BrFN2O/c1-12-7-5(9)2-4(10)3-6(7)11-8(12)13/h2-3H,1H3,(H,11,13)

InChIKey

WAHHUZCZSLHKFH-UHFFFAOYSA-N

Compound name

4-bromo-6-fluoro-3-methyl-1H-benzimidazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 243.96475 Da
Monoisotopic Mass: 1.5
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]+	244.97203	140.0
[M+Na]+	266.95397	156.6
[M-H]-	242.95747	143.9
[M+NH4]+	261.99857	161.7
[M+K]+	282.92791	144.1
[M+H-H2O]+	226.96201	139.6
[M+HCOO]-	288.96295	160.0
[M+CH3COO]-	302.97860	156.0
[M+Na-2H]-	264.93942	147.3
[M]+	243.96420	159.5
[M]-	243.96530	159.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe