CID 4129133

2,3-diphenyl-1,3-butadiene

Structural Information

Molecular Formula
C16H14
SMILES
C=C(C1=CC=CC=C1)C(=C)C2=CC=CC=C2
InChI
InChI=1S/C16H14/c1-13(15-9-5-3-6-10-15)14(2)16-11-7-4-8-12-16/h3-12H,1-2H2
InChIKey
LGLDSEPDYUTBNZ-UHFFFAOYSA-N
Compound name
3-phenylbuta-1,3-dien-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2374
Patents

206.10954 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11682 148.5
[M+Na]+ 229.09876 163.5
[M+NH4]+ 224.14336 158.1
[M+K]+ 245.07270 154.7
[M-H]- 205.10226 153.7
[M+Na-2H]- 227.08421 158.9
[M]+ 206.10899 152.3
[M]- 206.11009 152.3
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