CID 24261645

3277-79-0

Structural Information

Molecular Formula

C₁₃H₁₅BrO

SMILES

C1CCC(CC1)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C13H15BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h6-10H,1-5H2

InChIKey

OSZVBPMTWSMMRS-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-cyclohexylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 266.03064 Da
Monoisotopic Mass: 4.4
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]+	267.03792	154.7
[M+Na]+	289.01986	162.7
[M-H]-	265.02336	162.9
[M+NH4]+	284.06446	174.4
[M+K]+	304.99380	151.7
[M+H-H2O]+	249.02790	154.3
[M+HCOO]-	311.02884	172.2
[M+CH3COO]-	325.04449	193.0
[M+Na-2H]-	287.00531	159.2
[M]+	266.03009	168.6
[M]-	266.03119	168.6

Literature stripe

literature stripe

Patent stripe

patents stripe