CID 3067834

Crl 40727

Structural Information

Molecular Formula

C₁₁H₁₄FNO

SMILES

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

InChI

InChI=1S/C11H14FNO/c1-8(2)13-7-11(14)9-3-5-10(12)6-4-9/h3-6,8,13H,7H2,1-2H3

InChIKey

CHCHSONQFFZQBZ-UHFFFAOYSA-N

Compound name

1-(4-fluorophenyl)-2-(propan-2-ylamino)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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	142.3
[M+Na]+	218.09516	148.7
[M-H]-	194.09866	144.6
[M+NH4]+	213.13976	161.4
[M+K]+	234.06910	146.7
[M+H-H2O]+	178.10320	135.3
[M+HCOO]-	240.10414	164.6
[M+CH3COO]-	254.11979	188.9
[M+Na-2H]-	216.08061	145.9
[M]+	195.10539	140.9
[M]-	195.10649	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe