CID 60798963

2-(2-bromophenyl)-1-cyclopropylethan-1-one

Structural Information

Molecular Formula

C₁₁H₁₁BrO

SMILES

C1CC1C(=O)CC2=CC=CC=C2Br

InChI

InChI=1S/C11H11BrO/c12-10-4-2-1-3-9(10)7-11(13)8-5-6-8/h1-4,8H,5-7H2

InChIKey

BYVKUXNQXYWCCC-UHFFFAOYSA-N

Compound name

2-(2-bromophenyl)-1-cyclopropylethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.99933 Da
Monoisotopic Mass: 2.7
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]+	239.00661	144.2
[M+Na]+	260.98855	156.7
[M-H]-	236.99205	154.2
[M+NH4]+	256.03315	161.1
[M+K]+	276.96249	145.4
[M+H-H2O]+	220.99659	143.7
[M+HCOO]-	282.99753	165.7
[M+CH3COO]-	297.01318	192.0
[M+Na-2H]-	258.97400	150.9
[M]+	237.99878	164.1
[M]-	237.99988	164.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe