CID 310095

114995-47-0

Structural Information

Molecular Formula

C₁₁H₁₄FNO

SMILES

CC(C)(C)C(=O)NC1=CC=C(C=C1)F

InChI

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

InChIKey

DDRGTIBAQBROSP-UHFFFAOYSA-N

Compound name

N-(4-fluorophenyl)-2,2-dimethylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 93
Patents: 195.10594 Da
Monoisotopic Mass: 2.1
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]+	196.11322	141.9
[M+Na]+	218.09516	149.3
[M-H]-	194.09866	144.6
[M+NH4]+	213.13976	161.5
[M+K]+	234.06910	147.3
[M+H-H2O]+	178.10320	135.6
[M+HCOO]-	240.10414	163.8
[M+CH3COO]-	254.11979	187.0
[M+Na-2H]-	216.08061	147.6
[M]+	195.10539	140.5
[M]-	195.10649	140.5

Literature stripe

literature stripe

Patent stripe

patents stripe