CID 735960

Trans-1,2-(dibenzoyl)ethylene

Structural Information

Molecular Formula

C₁₆H₁₂O₂

SMILES

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

InChI

InChI=1S/C16H12O2/c17-15(13-7-3-1-4-8-13)11-12-16(18)14-9-5-2-6-10-14/h1-12H/b12-11+

InChIKey

WYCXGQSQHAXLPK-VAWYXSNFSA-N

Compound name

(E)-1,4-diphenylbut-2-ene-1,4-dione

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 8
References: 193
Patents: 236.08372 Da
Monoisotopic Mass: 3.2
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]+	237.09100	152.9
[M+Na]+	259.07294	159.0
[M-H]-	235.07644	159.2
[M+NH4]+	254.11754	169.8
[M+K]+	275.04688	154.9
[M+H-H2O]+	219.08098	145.4
[M+HCOO]-	281.08192	175.7
[M+CH3COO]-	295.09757	190.7
[M+Na-2H]-	257.05839	157.5
[M]+	236.08317	152.1
[M]-	236.08427	152.1

Literature stripe

literature stripe

Patent stripe

patents stripe