CID 24790

10016-09-8

Structural Information

Molecular Formula

C₉H₉FN₂O₃

SMILES

CN(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)CF

InChI

InChI=1S/C9H9FN2O3/c1-11(9(13)6-10)7-2-4-8(5-3-7)12(14)15/h2-5H,6H2,1H3

InChIKey

IKWVBWXAHHTTCR-UHFFFAOYSA-N

Compound name

2-fluoro-N-methyl-N-(4-nitrophenyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 212.05972 Da
Monoisotopic Mass: 1.3
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]+	213.06700	139.6
[M+Na]+	235.04894	150.6
[M+NH4]+	230.09354	146.5
[M+K]+	251.02288	148.6
[M-H]-	211.05244	141.4
[M+Na-2H]-	233.03439	145.3
[M]+	212.05917	141.3
[M]-	212.06027	141.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe