CID 60928889

4-fluoro-n-methyl-n-propylbenzamide

Structural Information

Molecular Formula

C₁₁H₁₄FNO

SMILES

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

InChI

InChI=1S/C11H14FNO/c1-3-8-13(2)11(14)9-4-6-10(12)7-5-9/h4-7H,3,8H2,1-2H3

InChIKey

AMSQIHIYMKBPSM-UHFFFAOYSA-N

Compound name

4-fluoro-N-methyl-N-propylbenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 195.10594 Da
Monoisotopic Mass: 2.4
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]+	196.113216	142.0
[M+Na]+	218.095158	148.9
[M-H]-	194.098664	145.7
[M+NH4]+	213.139763	161.9
[M+K]+	234.069098	147.8
[M+H-H2O]+	178.103200	134.7
[M+HCOO]-	240.104141	165.8
[M+CH3COO]-	254.119791	190.9
[M+Na-2H]-	216.080606	146.1
[M]+	195.10539142	142.4
[M]-	195.10648858	142.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe