CID 12536409

13600-48-1

Structural Information

Molecular Formula

C₈H₄ClF₃N₂

SMILES

CC1=CC(=C(C(=N1)Cl)C#N)C(F)(F)F

InChI

InChI=1S/C8H4ClF3N2/c1-4-2-6(8(10,11)12)5(3-13)7(9)14-4/h2H,1H3

InChIKey

LNJOJFNFYGSCCR-UHFFFAOYSA-N

Compound name

2-chloro-6-methyl-4-(trifluoromethyl)pyridine-3-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 59
Patents: 220.00151 Da
Monoisotopic Mass: 2.8
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]+	221.00879	143.2
[M+Na]+	242.99073	154.6
[M+NH4]+	238.03533	146.2
[M+K]+	258.96467	145.5
[M-H]-	218.99423	133.4
[M+Na-2H]-	240.97618	145.7
[M]+	220.00096	141.4
[M]-	220.00206	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe