CID 17039795

948291-11-0

Structural Information

Molecular Formula

C₁₁H₉Cl₂NO

SMILES

COC1=CC2=CC(=C(N=C2C=C1)Cl)CCl

InChI

InChI=1S/C11H9Cl2NO/c1-15-9-2-3-10-7(5-9)4-8(6-12)11(13)14-10/h2-5H,6H2,1H3

InChIKey

HMIQFHGMCNXAPJ-UHFFFAOYSA-N

Compound name

2-chloro-3-(chloromethyl)-6-methoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 241.00612 Da
Monoisotopic Mass: 3.5
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	146.0
[M+Na]+	263.99534	157.9
[M-H]-	239.99884	148.9
[M+NH4]+	259.03994	165.3
[M+K]+	279.96928	152.1
[M+H-H2O]+	224.00338	140.7
[M+HCOO]-	286.00432	158.9
[M+CH3COO]-	300.01997	159.3
[M+Na-2H]-	261.98079	153.0
[M]+	241.00557	151.6
[M]-	241.00667	151.6

Literature stripe

literature stripe

Patent stripe

patents stripe