CID 18965686

1-(5-bromo-1h-indol-3-yl)ethan-1-ol

Structural Information

Molecular Formula

C₁₀H₁₀BrNO

SMILES

CC(C1=CNC2=C1C=C(C=C2)Br)O

InChI

InChI=1S/C10H10BrNO/c1-6(13)9-5-12-10-3-2-7(11)4-8(9)10/h2-6,12-13H,1H3

InChIKey

XFBZKZYXTCXBEL-UHFFFAOYSA-N

Compound name

1-(5-bromo-1H-indol-3-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 238.99458 Da
Monoisotopic Mass: 2.3
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]+	240.001856	145.8
[M+Na]+	261.983798	158.8
[M-H]-	237.987304	150.0
[M+NH4]+	257.028403	167.7
[M+K]+	277.957738	146.5
[M+H-H2O]+	221.991840	146.5
[M+HCOO]-	283.992781	164.8
[M+CH3COO]-	298.008431	160.6
[M+Na-2H]-	259.969246	152.3
[M]+	238.99403142	164.1
[M]-	238.99512858	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe