CID 18475115

1224713-90-9

Structural Information

Molecular Formula

C₁₄H₁₁BrO₂

SMILES

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

InChI

InChI=1S/C14H11BrO2/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,16-17H/b2-1+

InChIKey

NCJVLKFAQIWASE-OWOJBTEDSA-N

Compound name

5-[(E)-2-(4-bromophenyl)ethenyl]benzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 18
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	161.2
[M+NH4]+	308.02805	160.7
[M+K]+	328.95739	159.8
[M-H]-	288.98695	158.1
[M+Na-2H]-	310.96890	161.1
[M]+	289.99368	156.2
[M]-	289.99478	156.2

Literature stripe

literature stripe

Patent stripe

patents stripe