CID 71475145

Diastase

Structural Information

Molecular Formula

C₁₁H₁₀FNO

SMILES

C=C=CCNC(=O)C1=CC=C(C=C1)F

InChI

InChI=1S/C11H10FNO/c1-2-3-8-13-11(14)9-4-6-10(12)7-5-9/h3-7H,1,8H2,(H,13,14)

InChIKey

YMXBQIIPWIMAQE-UHFFFAOYSA-N

Compound name

N-buta-2,3-dienyl-4-fluorobenzamide

Related CIDs

2D Structure

compound 2d structure

8
Annotation Hits: 18311
References: 0
Patents: 191.07465 Da
Monoisotopic Mass: 1.5
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]+	192.081926	139.6
[M+Na]+	214.063868	147.0
[M-H]-	190.067374	141.9
[M+NH4]+	209.108473	158.9
[M+K]+	230.037808	143.3
[M+H-H2O]+	174.071910	132.7
[M+HCOO]-	236.072851	163.3
[M+CH3COO]-	250.088501	184.9
[M+Na-2H]-	212.049316	144.5
[M]+	191.07410142	137.2
[M]-	191.07519858	137.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.