CID 24276140

1017403-71-2

Structural Information

Molecular Formula

C₁₀H₇BrClNO

SMILES

C1=CC(=CC2=NC(=C(C=C21)CO)Cl)Br

InChI

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

InChIKey

OEPCFZZHNNREOQ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
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	145.7
[M+Na]+	293.92916	160.1
[M-H]-	269.93266	150.8
[M+NH4]+	288.97376	166.4
[M+K]+	309.90310	146.6
[M+H-H2O]+	253.93720	146.6
[M+HCOO]-	315.93814	160.5
[M+CH3COO]-	329.95379	160.7
[M+Na-2H]-	291.91461	154.6
[M]+	270.93939	166.5
[M]-	270.94049	166.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe