CID 4129133

2,3-diphenylbuta-1,3-diene

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

1447
Patents

206.10954 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.116816 146.6
[M+Na]+ 229.098758 152.4
[M-H]- 205.102264 152.8
[M+NH4]+ 224.143363 164.8
[M+K]+ 245.072698 147.8
[M+H-H2O]+ 189.106800 139.5
[M+HCOO]- 251.107741 168.7
[M+CH3COO]- 265.123391 188.2
[M+Na-2H]- 227.084206 151.3
[M]+ 206.10899142 143.7
[M]- 206.11008858 143.7
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