CID 155820541

2460748-78-9

Structural Information

Molecular Formula

C₆H₂Cl₂FNO

SMILES

C1=C(C(=C(N=C1Cl)Cl)F)C=O

InChI

InChI=1S/C6H2Cl2FNO/c7-4-1-3(2-11)5(9)6(8)10-4/h1-2H

InChIKey

SWJROHZMWXYHPT-UHFFFAOYSA-N

Compound name

2,6-dichloro-3-fluoropyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 192.94975 Da
Monoisotopic Mass: 2.3
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]+	193.95703	127.9
[M+Na]+	215.93897	140.7
[M-H]-	191.94247	129.1
[M+NH4]+	210.98357	148.0
[M+K]+	231.91291	135.6
[M+H-H2O]+	175.94701	122.9
[M+HCOO]-	237.94795	141.7
[M+CH3COO]-	251.96360	180.8
[M+Na-2H]-	213.92442	134.0
[M]+	192.94920	130.8
[M]-	192.95030	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe