CID 4994582

3-(chlorodifluoromethyl)pyridine

Structural Information

Molecular Formula

C₆H₄ClF₂N

SMILES

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

InChI

InChI=1S/C6H4ClF2N/c7-6(8,9)5-2-1-3-10-4-5/h1-4H

InChIKey

JUJHMGHARXGPQZ-UHFFFAOYSA-N

Compound name

3-[chloro(difluoro)methyl]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 163.00003 Da
Monoisotopic Mass: 2.0
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]+	164.007306	124.8
[M+Na]+	185.989248	134.8
[M-H]-	161.992754	124.6
[M+NH4]+	181.033853	145.0
[M+K]+	201.963188	131.1
[M+H-H2O]+	145.997290	118.1
[M+HCOO]-	207.998231	140.8
[M+CH3COO]-	222.013881	174.7
[M+Na-2H]-	183.974696	133.8
[M]+	162.99948142	123.3
[M]-	163.00057858	123.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe