CID 24276141

1017464-16-2

Structural Information

Molecular Formula

C₁₀H₇BrClNO

SMILES

C1=CC2=NC(=C(C=C2C=C1Br)CO)Cl

InChI

InChI=1S/C10H7BrClNO/c11-8-1-2-9-6(4-8)3-7(5-14)10(12)13-9/h1-4,14H,5H2

InChIKey

OVEGPGLEVGCNGG-UHFFFAOYSA-N

Compound name

(6-bromo-2-chloroquinolin-3-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 270.93994 Da
Monoisotopic Mass: 3.0
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]+	271.94722	147.1
[M+Na]+	293.92916	153.6
[M+NH4]+	288.97376	153.1
[M+K]+	309.90310	151.7
[M-H]-	269.93266	148.3
[M+Na-2H]-	291.91461	151.5
[M]+	270.93939	147.6
[M]-	270.94049	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe