CID 70131

2,6-dichloro-4-methylnicotinonitrile

Structural Information

Molecular Formula

C₇H₄Cl₂N₂

SMILES

CC1=CC(=NC(=C1C#N)Cl)Cl

InChI

InChI=1S/C7H4Cl2N2/c1-4-2-6(8)11-7(9)5(4)3-10/h2H,1H3

InChIKey

LSPMHHJCDSFAAY-UHFFFAOYSA-N

Compound name

2,6-dichloro-4-methylpyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 729
Patents: 185.97516 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]+	186.982436	132.1
[M+Na]+	208.964378	145.8
[M-H]-	184.967884	134.0
[M+NH4]+	204.008983	150.4
[M+K]+	224.938318	140.3
[M+H-H2O]+	168.972420	121.4
[M+HCOO]-	230.973361	143.5
[M+CH3COO]-	244.989011	193.4
[M+Na-2H]-	206.949826	137.7
[M]+	185.97461142	130.2
[M]-	185.97570858	130.2

Literature stripe

literature stripe

Patent stripe

patents stripe