CID 69775

735-06-8

Structural Information

Molecular Formula

C₁₄H₁₁FN₂O₃

SMILES

CNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2F

InChI

InChI=1S/C14H11FN2O3/c1-16-13-7-6-9(17(19)20)8-11(13)14(18)10-4-2-3-5-12(10)15/h2-8,16H,1H3

InChIKey

GVXPKRIRHDRCGY-UHFFFAOYSA-N

Compound name

(2-fluorophenyl)-[2-(methylamino)-5-nitrophenyl]methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 274.07538 Da
Monoisotopic Mass: 3.7
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]+	275.08266	156.6
[M+Na]+	297.06460	170.0
[M+NH4]+	292.10920	163.7
[M+K]+	313.03854	166.2
[M-H]-	273.06810	161.0
[M+Na-2H]-	295.05005	164.5
[M]+	274.07483	159.5
[M]-	274.07593	159.5

Literature stripe

literature stripe

Patent stripe

patents stripe