CID 88543264

2-chloro-5-(1,1-difluoroethyl)pyridine

Structural Information

Molecular Formula

C₇H₆ClF₂N

SMILES

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

InChI

InChI=1S/C7H6ClF2N/c1-7(9,10)5-2-3-6(8)11-4-5/h2-4H,1H3

InChIKey

MIPDOKCSQCJWNE-UHFFFAOYSA-N

Compound name

2-chloro-5-(1,1-difluoroethyl)pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 177.01569 Da
Monoisotopic Mass: 2.6
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]+	178.02297	132.4
[M+Na]+	200.00491	145.0
[M+NH4]+	195.04951	140.3
[M+K]+	215.97885	138.6
[M-H]-	176.00841	131.3
[M+Na-2H]-	197.99036	139.3
[M]+	177.01514	134.1
[M]-	177.01624	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe