CID 91175

24358-62-1

Structural Information

Molecular Formula

SMILES

CC(C1=CC=C(C=C1)Br)N

InChI

InChI=1S/C8H10BrN/c1-6(10)7-2-4-8(9)5-3-7/h2-6H,10H2,1H3

InChIKey

SOZMSEPDYJGBEK-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2475
Patents: 198.99966 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]+	200.00694	133.8
[M+Na]+	221.98888	137.0
[M+NH4]+	217.03348	139.5
[M+K]+	237.96282	136.9
[M-H]-	197.99238	135.5
[M+Na-2H]-	219.97433	138.1
[M]+	198.99911	133.5
[M]-	199.00021	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe