CID 609776

Diphenylbutadiene

Structural Information

Molecular Formula
C16H14
SMILES
C=CC=C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C16H14/c1-2-9-16(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h2-13H,1H2
InChIKey
GUPMCMZMDAGSPF-UHFFFAOYSA-N
Compound name
1-phenylbuta-1,3-dienylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

5564
Patents

206.10954 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.116816 146.8
[M+Na]+ 229.098758 153.0
[M-H]- 205.102264 152.9
[M+NH4]+ 224.143363 165.2
[M+K]+ 245.072698 147.9
[M+H-H2O]+ 189.106800 139.6
[M+HCOO]- 251.107741 169.9
[M+CH3COO]- 265.123391 186.7
[M+Na-2H]- 227.084206 152.7
[M]+ 206.10899142 144.4
[M]- 206.11008858 144.4
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