CID 24752865

Tfap

Structural Information

Molecular Formula

C₁₃H₁₀F₃N₃O

SMILES

C1=CC(=CC=C1C(=O)NC2=NC=C(C=C2)N)C(F)(F)F

InChI

InChI=1S/C13H10F3N3O/c14-13(15,16)9-3-1-8(2-4-9)12(20)19-11-6-5-10(17)7-18-11/h1-7H,17H2,(H,18,19,20)

InChIKey

BTCFFMPDIBWZLF-UHFFFAOYSA-N

Compound name

N-(5-aminopyridin-2-yl)-4-(trifluoromethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 295
Patents: 281.0776 Da
Monoisotopic Mass: 2.2
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]+	282.08488	159.4
[M+Na]+	304.06682	167.4
[M-H]-	280.07032	160.9
[M+NH4]+	299.11142	173.0
[M+K]+	320.04076	162.5
[M+H-H2O]+	264.07486	148.7
[M+HCOO]-	326.07580	178.9
[M+CH3COO]-	340.09145	202.5
[M+Na-2H]-	302.05227	164.2
[M]+	281.07705	153.1
[M]-	281.07815	153.1

Literature stripe

literature stripe

Patent stripe

patents stripe