CID 18405975

189746-18-7

Structural Information

Molecular Formula

C₁₁H₉Cl₂NO

SMILES

CC1=CC(=NC2=C1C(=C(C=C2)OC)Cl)Cl

InChI

InChI=1S/C11H9Cl2NO/c1-6-5-9(12)14-7-3-4-8(15-2)11(13)10(6)7/h3-5H,1-2H3

InChIKey

JEHPJMVYFZPTHB-UHFFFAOYSA-N

Compound name

2,5-dichloro-6-methoxy-4-methylquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 241.00612 Da
Monoisotopic Mass: 4.1
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]+	242.01340	145.8
[M+Na]+	263.99534	158.6
[M-H]-	239.99884	149.1
[M+NH4]+	259.03994	165.4
[M+K]+	279.96928	152.9
[M+H-H2O]+	224.00338	140.8
[M+HCOO]-	286.00432	158.7
[M+CH3COO]-	300.01997	192.4
[M+Na-2H]-	261.98079	152.2
[M]+	241.00557	151.8
[M]-	241.00667	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe