CID 13452

886-65-7

Structural Information

Molecular Formula
C16H14
SMILES
C1=CC=C(C=C1)C=CC=CC2=CC=CC=C2
InChI
InChI=1S/C16H14/c1-3-9-15(10-4-1)13-7-8-14-16-11-5-2-6-12-16/h1-14H
InChIKey
JFLKFZNIIQFQBS-UHFFFAOYSA-N
Compound name
4-phenylbuta-1,3-dienylbenzene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

36
References

13989
Patents

206.10954 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.116816 146.7
[M+Na]+ 229.098758 153.3
[M-H]- 205.102264 152.8
[M+NH4]+ 224.143363 165.3
[M+K]+ 245.072698 147.7
[M+H-H2O]+ 189.106800 139.5
[M+HCOO]- 251.107741 170.9
[M+CH3COO]- 265.123391 185.3
[M+Na-2H]- 227.084206 153.8
[M]+ 206.10899142 144.9
[M]- 206.11008858 144.9
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