CID 2773354

289038-14-8

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1F)Br)CN

InChI

InChI=1S/C7H7BrFN/c8-7-3-6(9)2-1-5(7)4-10/h1-3H,4,10H2

InChIKey

IWESNUOWFSWAKP-UHFFFAOYSA-N

Compound name

(2-bromo-4-fluorophenyl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 88
Patents: 202.9746 Da
Monoisotopic Mass: 1.6
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	135.8
[M+Na]+	225.96382	138.9
[M+NH4]+	221.00842	140.9
[M+K]+	241.93776	138.3
[M-H]-	201.96732	136.2
[M+Na-2H]-	223.94927	139.5
[M]+	202.97405	135.1
[M]-	202.97515	135.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe