CID 155141187

Refchem:510798

Structural Information

Molecular Formula

C₁₅H₈Cl₂FNO

SMILES

C1=CC2=C(C=CN=C2C=C1O)C3=C(C=C(C=C3Cl)F)Cl

InChI

InChI=1S/C15H8Cl2FNO/c16-12-5-8(18)6-13(17)15(12)11-3-4-19-14-7-9(20)1-2-10(11)14/h1-7,20H

InChIKey

HNXHSIYUZOKAIG-UHFFFAOYSA-N

Compound name

4-(2,6-dichloro-4-fluorophenyl)quinolin-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 306.9967 Da
Monoisotopic Mass: 4.8
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]+	308.003976	161.8
[M+Na]+	329.985918	174.7
[M-H]-	305.989424	165.5
[M+NH4]+	325.030523	177.7
[M+K]+	345.959858	166.4
[M+H-H2O]+	289.993960	154.3
[M+HCOO]-	351.994901	172.2
[M+CH3COO]-	366.010551	173.7
[M+Na-2H]-	327.971366	166.6
[M]+	306.99615142	164.6
[M]-	306.99724858	164.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe