CID 217260

38339-27-4

Structural Information

Molecular Formula

C₉H₁₂Br₂N₂O

SMILES

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

InChI

InChI=1S/C9H12Br2N2O/c1-13-4-8(14)5-2-6(10)9(12)7(11)3-5/h2-3,8,13-14H,4,12H2,1H3

InChIKey

SZSXNEZFPYBXPZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 321.93164 Da
Monoisotopic Mass: 1.3
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]+	322.93892	151.0
[M+Na]+	344.92086	159.9
[M-H]-	320.92436	155.9
[M+NH4]+	339.96546	167.8
[M+K]+	360.89480	142.8
[M+H-H2O]+	304.92890	156.3
[M+HCOO]-	366.92984	166.0
[M+CH3COO]-	380.94549	209.8
[M+Na-2H]-	342.90631	155.0
[M]+	321.93109	182.0
[M]-	321.93219	182.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe