CID 50986362

N-tert-butyl-2-chloro-n-[(3-fluorophenyl)methyl]acetamide

Structural Information

Molecular Formula

C₁₃H₁₇ClFNO

SMILES

CC(C)(C)N(CC1=CC(=CC=C1)F)C(=O)CCl

InChI

InChI=1S/C13H17ClFNO/c1-13(2,3)16(12(17)8-14)9-10-5-4-6-11(15)7-10/h4-7H,8-9H2,1-3H3

InChIKey

NDPWEBDHZUVUKM-UHFFFAOYSA-N

Compound name

N-tert-butyl-2-chloro-N-[(3-fluorophenyl)methyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.09827 Da
Monoisotopic Mass: 2.9
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]+	258.105546	156.9
[M+Na]+	280.087488	164.4
[M-H]-	256.090994	160.5
[M+NH4]+	275.132093	175.4
[M+K]+	296.061428	161.1
[M+H-H2O]+	240.095530	150.7
[M+HCOO]-	302.096471	174.0
[M+CH3COO]-	316.112121	200.3
[M+Na-2H]-	278.072936	160.3
[M]+	257.09772142	159.6
[M]-	257.09881858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.