CID 2120273

749920-54-5

Structural Information

Molecular Formula

C₁₀H₅ClFNO

SMILES

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

InChI

InChI=1S/C10H5ClFNO/c11-10-7(5-14)3-6-4-8(12)1-2-9(6)13-10/h1-5H

InChIKey

AWXUFNXARKHKDY-UHFFFAOYSA-N

Compound name

2-chloro-6-fluoroquinoline-3-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 55
Patents: 209.00436 Da
Monoisotopic Mass: 2.7
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]+	210.011636	136.9
[M+Na]+	231.993578	149.3
[M-H]-	207.997084	139.5
[M+NH4]+	227.038183	157.0
[M+K]+	247.967518	143.9
[M+H-H2O]+	192.001620	130.3
[M+HCOO]-	254.002561	154.5
[M+CH3COO]-	268.018211	185.5
[M+Na-2H]-	229.979026	144.8
[M]+	209.00381142	139.3
[M]-	209.00490858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe