CID 165597912

2731007-96-6

Structural Information

Molecular Formula

C₁₀H₄Cl₂FNO

SMILES

C1=CC2=C(C=C1F)N=C(C=C2C(=O)Cl)Cl

InChI

InChI=1S/C10H4Cl2FNO/c11-9-4-7(10(12)15)6-2-1-5(13)3-8(6)14-9/h1-4H

InChIKey

RMABPLSGQZCFBH-UHFFFAOYSA-N

Compound name

2-chloro-7-fluoroquinoline-4-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 242.9654 Da
Monoisotopic Mass: 3.8
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]+	243.972676	141.7
[M+Na]+	265.954618	154.0
[M-H]-	241.958124	143.5
[M+NH4]+	260.999223	160.6
[M+K]+	281.928558	147.9
[M+H-H2O]+	225.962660	135.8
[M+HCOO]-	287.963601	153.2
[M+CH3COO]-	301.979251	190.9
[M+Na-2H]-	263.940066	147.6
[M]+	242.96485142	144.7
[M]-	242.96594858	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.