CID 68013

4-(trifluoromethoxy)benzamide

Structural Information

Molecular Formula

C₈H₆F₃NO₂

SMILES

C1=CC(=CC=C1C(=O)N)OC(F)(F)F

InChI

InChI=1S/C8H6F3NO2/c9-8(10,11)14-6-3-1-5(2-4-6)7(12)13/h1-4H,(H2,12,13)

InChIKey

IDIXWLCRJFBQJA-UHFFFAOYSA-N

Compound name

4-(trifluoromethoxy)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 609
Patents: 205.03506 Da
Monoisotopic Mass: 2.1
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]+	206.04234	143.0
[M+Na]+	228.02428	150.8
[M+NH4]+	223.06888	147.9
[M+K]+	243.99822	147.0
[M-H]-	204.02778	139.6
[M+Na-2H]-	226.00973	146.6
[M]+	205.03451	142.7
[M]-	205.03561	142.7

Literature stripe

literature stripe

Patent stripe

patents stripe