CID 17039790

948290-77-5

Structural Information

Molecular Formula

C₁₀H₆BrCl₂N

SMILES

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

InChI

InChI=1S/C10H6BrCl2N/c11-8-1-2-9-6(4-8)3-7(5-12)10(13)14-9/h1-4H,5H2

InChIKey

ICFHBEBSACQCJB-UHFFFAOYSA-N

Compound name

6-bromo-2-chloro-3-(chloromethyl)quinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 288.90607 Da
Monoisotopic Mass: 4.2
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]+	289.91335	146.6
[M+Na]+	311.89529	162.1
[M-H]-	287.89879	152.2
[M+NH4]+	306.93989	167.7
[M+K]+	327.86923	147.7
[M+H-H2O]+	271.90333	147.9
[M+HCOO]-	333.90427	157.7
[M+CH3COO]-	347.91992	161.7
[M+Na-2H]-	309.88074	155.3
[M]+	288.90552	168.5
[M]-	288.90662	168.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe