CID 50998704

1199773-27-7

Structural Information

Molecular Formula

SMILES

CNC1=C(C=CC(=C1)F)Br

InChI

InChI=1S/C7H7BrFN/c1-10-7-4-5(9)2-3-6(7)8/h2-4,10H,1H3

InChIKey

ANLGAUIUSSHNAX-UHFFFAOYSA-N

Compound name

2-bromo-5-fluoro-N-methylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 202.9746 Da
Monoisotopic Mass: 2.7
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]+	203.98188	135.5
[M+Na]+	225.96382	138.9
[M+NH4]+	221.00842	140.8
[M+K]+	241.93776	138.1
[M-H]-	201.96732	136.1
[M+Na-2H]-	223.94927	139.6
[M]+	202.97405	134.9
[M]-	202.97515	134.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.