CID 2757032

151239-47-3

Structural Information

Molecular Formula

C₁₄H₁₁BrO₂

SMILES

COC1=CC=CC(=C1)C(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C14H11BrO2/c1-17-13-4-2-3-11(9-13)14(16)10-5-7-12(15)8-6-10/h2-9H,1H3

InChIKey

XKJUSMRRMJSDMQ-UHFFFAOYSA-N

Compound name

(4-bromophenyl)-(3-methoxyphenyl)methanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 67
Patents: 289.99423 Da
Monoisotopic Mass: 4.2
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]+	291.00151	156.0
[M+Na]+	312.98345	167.0
[M-H]-	288.98695	165.3
[M+NH4]+	308.02805	175.1
[M+K]+	328.95739	156.0
[M+H-H2O]+	272.99149	155.2
[M+HCOO]-	334.99243	177.4
[M+CH3COO]-	349.00808	197.8
[M+Na-2H]-	310.96890	162.2
[M]+	289.99368	175.9
[M]-	289.99478	175.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe