CID 217229

38338-83-9

Structural Information

Molecular Formula

C₁₀H₁₄Br₂N₂O

SMILES

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

InChI

InChI=1S/C10H14Br2N2O/c1-2-14-5-9(15)6-3-7(11)10(13)8(12)4-6/h3-4,9,14-15H,2,5,13H2,1H3

InChIKey

GQPCXPDZCYDJGD-UHFFFAOYSA-N

Compound name

1-(4-amino-3,5-dibromophenyl)-2-(ethylamino)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.9473 Da
Monoisotopic Mass: 1.7
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]+	336.954576	155.0
[M+Na]+	358.936518	163.6
[M-H]-	334.940024	159.7
[M+NH4]+	353.981123	171.4
[M+K]+	374.910458	146.3
[M+H-H2O]+	318.944560	160.2
[M+HCOO]-	380.945501	169.7
[M+CH3COO]-	394.961151	212.1
[M+Na-2H]-	356.921966	158.5
[M]+	335.94675142	186.2
[M]-	335.94784858	186.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe