CID 64210900

2-chloro-7,8-difluoroquinoline

Structural Information

Molecular Formula

C₉H₄ClF₂N

SMILES

C1=CC(=C(C2=C1C=CC(=N2)Cl)F)F

InChI

InChI=1S/C9H4ClF2N/c10-7-4-2-5-1-3-6(11)8(12)9(5)13-7/h1-4H

InChIKey

QHFCIVBYDLIPLC-UHFFFAOYSA-N

Compound name

2-chloro-7,8-difluoroquinoline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.00003 Da
Monoisotopic Mass: 3.4
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]+	200.00731	134.1
[M+Na]+	221.98925	149.2
[M+NH4]+	217.03385	143.2
[M+K]+	237.96319	141.1
[M-H]-	197.99275	134.8
[M+Na-2H]-	219.97470	141.8
[M]+	198.99948	136.8
[M]-	199.00058	136.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.