CID 540430

395-68-6

Structural Information

Molecular Formula

C₉H₇F₃N₂O₃

SMILES

CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C(F)(F)F

InChI

InChI=1S/C9H7F3N2O3/c1-5(15)13-8-3-2-6(14(16)17)4-7(8)9(10,11)12/h2-4H,1H3,(H,13,15)

InChIKey

RBEVUHKSMGYLIF-UHFFFAOYSA-N

Compound name

N-[4-nitro-2-(trifluoromethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 248.04088 Da
Monoisotopic Mass: 1.2
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]+	249.04816	143.6
[M+Na]+	271.03010	152.0
[M+NH4]+	266.07470	148.1
[M+K]+	287.00404	151.1
[M-H]-	247.03360	141.3
[M+Na-2H]-	269.01555	147.1
[M]+	248.04033	143.6
[M]-	248.04143	143.6

Literature stripe

literature stripe

Patent stripe

patents stripe