CID 2782215

186834-97-9

Structural Information

Molecular Formula

C₁₀H₈F₃N₅

SMILES

C1=CC(=CC=C1C2=NC(=NC(=N2)N)N)C(F)(F)F

InChI

InChI=1S/C10H8F3N5/c11-10(12,13)6-3-1-5(2-4-6)7-16-8(14)18-9(15)17-7/h1-4H,(H4,14,15,16,17,18)

InChIKey

BJDQOYKKFRUFII-UHFFFAOYSA-N

Compound name

6-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 255.07318 Da
Monoisotopic Mass: 2.4
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]+	256.08046	154.5
[M+Na]+	278.06240	164.9
[M-H]-	254.06590	153.5
[M+NH4]+	273.10700	166.7
[M+K]+	294.03634	159.1
[M+H-H2O]+	238.07044	143.0
[M+HCOO]-	300.07138	172.2
[M+CH3COO]-	314.08703	198.2
[M+Na-2H]-	276.04785	160.4
[M]+	255.07263	147.7
[M]-	255.07373	147.7

Literature stripe

literature stripe

Patent stripe

patents stripe