CID 16284

N,n-bis(2-bromoethyl)aniline

Structural Information

Molecular Formula

C₁₀H₁₃Br₂N

SMILES

C1=CC=C(C=C1)N(CCBr)CCBr

InChI

InChI=1S/C10H13Br2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

LTZFEVFXIMXNRW-UHFFFAOYSA-N

Compound name

N,N-bis(2-bromoethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 15
Patents: 304.94147 Da
Monoisotopic Mass: 3.2
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]+	305.94875	151.5
[M+Na]+	327.93069	146.4
[M+NH4]+	322.97529	154.0
[M+K]+	343.90463	151.9
[M-H]-	303.93419	153.1
[M+Na-2H]-	325.91614	153.7
[M]+	304.94092	150.1
[M]-	304.94202	150.1

Literature stripe

literature stripe

Patent stripe

patents stripe