CID 5005279

146617-56-3

Structural Information

Molecular Formula

C₁₁H₁₄FNO

SMILES

CC(C)(C)NC(=O)C1=CC=CC=C1F

InChI

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

InChIKey

BQTOGGBBTUSQOE-UHFFFAOYSA-N

Compound name

N-tert-butyl-2-fluorobenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 195.10594 Da
Monoisotopic Mass: 2.5
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]+	196.113216	141.9
[M+Na]+	218.095158	149.3
[M-H]-	194.098664	144.6
[M+NH4]+	213.139763	161.5
[M+K]+	234.069098	147.3
[M+H-H2O]+	178.103200	135.6
[M+HCOO]-	240.104141	163.8
[M+CH3COO]-	254.119791	187.0
[M+Na-2H]-	216.080606	147.6
[M]+	195.10539142	140.5
[M]-	195.10648858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe