CID 17900617

233746-07-1

Structural Information

Molecular Formula

C₁₁H₁₀ClNO

SMILES

COC1=CC2=C(C=CN=C2C=C1)CCl

InChI

InChI=1S/C11H10ClNO/c1-14-9-2-3-11-10(6-9)8(7-12)4-5-13-11/h2-6H,7H2,1H3

InChIKey

HSBKMMSLWXJVGJ-UHFFFAOYSA-N

Compound name

4-(chloromethyl)-6-methoxyquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 207.04509 Da
Monoisotopic Mass: 2.6
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]+	208.05237	140.5
[M+Na]+	230.03431	151.2
[M-H]-	206.03781	143.9
[M+NH4]+	225.07891	160.5
[M+K]+	246.00825	146.6
[M+H-H2O]+	190.04235	134.4
[M+HCOO]-	252.04329	158.6
[M+CH3COO]-	266.05894	185.5
[M+Na-2H]-	228.01976	149.1
[M]+	207.04454	144.6
[M]-	207.04564	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe