CID 71303723

1333319-52-0

Structural Information

Molecular Formula

C₆H₂ClF₂NO

SMILES

C1=C(C(=C(C(=N1)F)F)C=O)Cl

InChI

InChI=1S/C6H2ClF2NO/c7-4-1-10-6(9)5(8)3(4)2-11/h1-2H

InChIKey

ICVYISQHWWFVEA-UHFFFAOYSA-N

Compound name

5-chloro-2,3-difluoropyridine-4-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 176.9793 Da
Monoisotopic Mass: 1.5
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]+	177.98658	124.7
[M+Na]+	199.96852	137.3
[M-H]-	175.97202	125.3
[M+NH4]+	195.01312	145.1
[M+K]+	215.94246	133.2
[M+H-H2O]+	159.97656	118.2
[M+HCOO]-	221.97750	142.7
[M+CH3COO]-	235.99315	178.8
[M+Na-2H]-	197.95397	131.0
[M]+	176.97875	125.6
[M]-	176.97985	125.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.