CID 735960

Trans-1,2-dibenzoylethylene

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

184
Patents

236.08372 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.09100 154.0
[M+Na]+ 259.07294 168.1
[M+NH4]+ 254.11754 162.2
[M+K]+ 275.04688 160.2
[M-H]- 235.07644 157.9
[M+Na-2H]- 257.05839 163.3
[M]+ 236.08317 157.1
[M]- 236.08427 157.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe