CID 6434871

Cinflumide

Structural Information

Molecular Formula

C₁₂H₁₂FNO

SMILES

C1CC1NC(=O)/C=C/C2=CC(=CC=C2)F

InChI

InChI=1S/C12H12FNO/c13-10-3-1-2-9(8-10)4-7-12(15)14-11-5-6-11/h1-4,7-8,11H,5-6H2,(H,14,15)/b7-4+

InChIKey

NCOOUEIQXVWKTO-QPJJXVBHSA-N

Compound name

(E)-N-cyclopropyl-3-(3-fluorophenyl)prop-2-enamide

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 4
References: 310
Patents: 205.09029 Da
Monoisotopic Mass: 2.3
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]+	206.097566	140.0
[M+Na]+	228.079508	148.5
[M-H]-	204.083014	146.2
[M+NH4]+	223.124113	153.9
[M+K]+	244.053448	144.2
[M+H-H2O]+	188.087550	132.3
[M+HCOO]-	250.088491	163.8
[M+CH3COO]-	264.104141	190.3
[M+Na-2H]-	226.064956	145.2
[M]+	205.08974142	140.0
[M]-	205.09083858	140.0

Literature stripe

literature stripe

Patent stripe

patents stripe