CID 10397819

Schembl17141411

Structural Information

Molecular Formula

C₆H₃Cl₂F₂N

SMILES

C1=CC(=NC(=C1)Cl)C(F)(F)Cl

InChI

InChI=1S/C6H3Cl2F2N/c7-5-3-1-2-4(11-5)6(8,9)10/h1-3H

InChIKey

BMITXKSONBCTCH-UHFFFAOYSA-N

Compound name

2-chloro-6-[chloro(difluoro)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 196.96106 Da
Monoisotopic Mass: 2.9
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]+	197.96834	129.7
[M+Na]+	219.95028	140.8
[M-H]-	195.95378	129.0
[M+NH4]+	214.99488	149.1
[M+K]+	235.92422	135.7
[M+H-H2O]+	179.95832	123.6
[M+HCOO]-	241.95926	140.4
[M+CH3COO]-	255.97491	180.6
[M+Na-2H]-	217.93573	137.1
[M]+	196.96051	129.5
[M]-	196.96161	129.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe