CID 215468

35727-88-9

Structural Information

Molecular Formula

C₁₅H₄Cl₂F₂N₄

SMILES

C1=CC(=C(C=C1F)F)NC2=C(C(=C(C(=C2C#N)Cl)C#N)Cl)C#N

InChI

InChI=1S/C15H4Cl2F2N4/c16-13-8(4-20)14(17)10(6-22)15(9(13)5-21)23-12-2-1-7(18)3-11(12)19/h1-3,23H

InChIKey

RYWZYZZJILHHSA-UHFFFAOYSA-N

Compound name

2,4-dichloro-6-(2,4-difluoroanilino)benzene-1,3,5-tricarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 347.97812 Da
Monoisotopic Mass: 4.6
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]+	348.98540	173.0
[M+Na]+	370.96734	182.9
[M-H]-	346.97084	176.1
[M+NH4]+	366.01194	179.0
[M+K]+	386.94128	177.0
[M+H-H2O]+	330.97538	160.5
[M+HCOO]-	392.97632	175.2
[M+CH3COO]-	406.99197	175.9
[M+Na-2H]-	368.95279	170.5
[M]+	347.97757	165.9
[M]-	347.97867	165.9

Literature stripe

literature stripe

Patent stripe

patents stripe