CID 66324

2-bromoisobutyrophenone

Structural Information

Molecular Formula

C₁₀H₁₁BrO

SMILES

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

InChI

InChI=1S/C10H11BrO/c1-10(2,11)9(12)8-6-4-3-5-7-8/h3-7H,1-2H3

InChIKey

QMOSZSHTSOWPRX-UHFFFAOYSA-N

Compound name

2-bromo-2-methyl-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 356
Patents: 225.99933 Da
Monoisotopic Mass: 3.0
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]+	227.00661	142.5
[M+Na]+	248.98855	153.2
[M-H]-	224.99205	148.8
[M+NH4]+	244.03315	164.2
[M+K]+	264.96249	142.7
[M+H-H2O]+	208.99659	143.2
[M+HCOO]-	270.99753	162.2
[M+CH3COO]-	285.01318	187.0
[M+Na-2H]-	246.97400	150.4
[M]+	225.99878	161.0
[M]-	225.99988	161.0

Literature stripe

literature stripe

Patent stripe

patents stripe