CID 735960

Trans-1,4-diphenyl-2-butene-1,4-dione

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

4
References

233
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 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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.