CID 19138

Phenocarb

Structural Information

Molecular Formula

C₁₄H₂₀BrNO₂

SMILES

CCC(CC)(C(=O)NC1=CC=C(C=C1)OCC)Br

InChI

InChI=1S/C14H20BrNO2/c1-4-14(15,5-2)13(17)16-11-7-9-12(10-8-11)18-6-3/h7-10H,4-6H2,1-3H3,(H,16,17)

InChIKey

UEECBKODSIZCJC-UHFFFAOYSA-N

Compound name

2-bromo-N-(4-ethoxyphenyl)-2-ethylbutanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 337
Patents: 313.06775 Da
Monoisotopic Mass: 3.9
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]+	314.07503	167.4
[M+Na]+	336.05697	176.1
[M-H]-	312.06047	173.0
[M+NH4]+	331.10157	185.5
[M+K]+	352.03091	164.8
[M+H-H2O]+	296.06501	166.2
[M+HCOO]-	358.06595	186.7
[M+CH3COO]-	372.08160	205.0
[M+Na-2H]-	334.04242	172.6
[M]+	313.06720	187.9
[M]-	313.06830	187.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe