CID 344893

2-(4-bromophenoxy)-2-methylpropanamide

Structural Information

Molecular Formula

C₁₀H₁₂BrNO₂

SMILES

CC(C)(C(=O)N)OC1=CC=C(C=C1)Br

InChI

InChI=1S/C10H12BrNO2/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H2,12,13)

InChIKey

UFPWOSSFAUAVAQ-UHFFFAOYSA-N

Compound name

2-(4-bromophenoxy)-2-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 257.00513 Da
Monoisotopic Mass: 2.0
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]+	258.01241	149.6
[M+Na]+	279.99435	159.9
[M-H]-	255.99785	155.4
[M+NH4]+	275.03895	169.5
[M+K]+	295.96829	149.2
[M+H-H2O]+	240.00239	149.1
[M+HCOO]-	302.00333	169.6
[M+CH3COO]-	316.01898	193.8
[M+Na-2H]-	277.97980	155.9
[M]+	257.00458	167.9
[M]-	257.00568	167.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe