CID 2779451

131468-33-2

Structural Information

Molecular Formula

C₉H₅Cl₂FN₄

SMILES

C1=CC(=CC=C1NC2=NC(=NC(=N2)Cl)Cl)F

InChI

InChI=1S/C9H5Cl2FN4/c10-7-14-8(11)16-9(15-7)13-6-3-1-5(12)2-4-6/h1-4H,(H,13,14,15,16)

InChIKey

GVFNRSSFMJILLU-UHFFFAOYSA-N

Compound name

4,6-dichloro-N-(4-fluorophenyl)-1,3,5-triazin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 257.98752 Da
Monoisotopic Mass: 3.9
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]+	258.99480	147.6
[M+Na]+	280.97674	163.7
[M+NH4]+	276.02134	155.4
[M+K]+	296.95068	155.6
[M-H]-	256.98024	149.8
[M+Na-2H]-	278.96219	157.3
[M]+	257.98697	151.1
[M]-	257.98807	151.1

Literature stripe

literature stripe

Patent stripe

patents stripe