CID 17039595

203626-29-3

Structural Information

Molecular Formula

C₁₀H₆Br₂ClN

SMILES

CC1=CC(=C2C=C(C=C(C2=N1)Br)Br)Cl

InChI

InChI=1S/C10H6Br2ClN/c1-5-2-9(13)7-3-6(11)4-8(12)10(7)14-5/h2-4H,1H3

InChIKey

UJAIYNLCWBKOPO-UHFFFAOYSA-N

Compound name

6,8-dibromo-4-chloro-2-methylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 332.85556 Da
Monoisotopic Mass: 4.6
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]+	333.86284	143.3
[M+Na]+	355.84478	157.4
[M-H]-	331.84828	150.4
[M+NH4]+	350.88938	162.7
[M+K]+	371.81872	140.5
[M+H-H2O]+	315.85282	152.4
[M+HCOO]-	377.85376	155.0
[M+CH3COO]-	391.86941	158.1
[M+Na-2H]-	353.83023	151.6
[M]+	332.85501	179.7
[M]-	332.85611	179.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe