CID 6454352

62143-14-0

Structural Information

Molecular Formula

C₁₀H₁₄BrNO₂

SMILES

C1=CC(=CC(=C1)Br)N(CCO)CCO

InChI

InChI=1S/C10H14BrNO2/c11-9-2-1-3-10(8-9)12(4-6-13)5-7-14/h1-3,8,13-14H,4-7H2

InChIKey

XINJBHMYJJBTBJ-UHFFFAOYSA-N

Compound name

2-[3-bromo-N-(2-hydroxyethyl)anilino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 259.02078 Da
Monoisotopic Mass: 1.4
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]+	260.028056	150.3
[M+Na]+	282.009998	159.4
[M-H]-	258.013504	154.8
[M+NH4]+	277.054603	169.7
[M+K]+	297.983938	148.3
[M+H-H2O]+	242.018040	149.3
[M+HCOO]-	304.018981	170.7
[M+CH3COO]-	318.034631	192.5
[M+Na-2H]-	279.995446	156.5
[M]+	259.02023142	168.8
[M]-	259.02132858	168.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe