CID 2773811

81962-58-5

Structural Information

Molecular Formula

C₈H₆ClFN₂O₃

SMILES

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

InChI

InChI=1S/C8H6ClFN2O3/c1-4(13)11-7-2-5(9)6(10)3-8(7)12(14)15/h2-3H,1H3,(H,11,13)

InChIKey

PFFDKLGOPDBQQD-UHFFFAOYSA-N

Compound name

N-(5-chloro-4-fluoro-2-nitrophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 232.0051 Da
Monoisotopic Mass: 2.6
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]+	233.01238	139.2
[M+Na]+	254.99432	151.7
[M+NH4]+	250.03892	146.3
[M+K]+	270.96826	149.1
[M-H]-	230.99782	140.9
[M+Na-2H]-	252.97977	144.6
[M]+	232.00455	141.4
[M]-	232.00565	141.4

Literature stripe

literature stripe

Patent stripe

patents stripe