CID 6187790

Methyl 4-(4-phenyl-1,3-butadien-1-yl)benzoate

Structural Information

Molecular Formula
C18H16O2
SMILES
COC(=O)C1=CC=C(C=C1)/C=C/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H16O2/c1-20-18(19)17-13-11-16(12-14-17)10-6-5-9-15-7-3-2-4-8-15/h2-14H,1H3/b9-5+,10-6+
InChIKey
JWOHPCKUEACJOY-NXZHAISVSA-N
Compound name
methyl 4-[(1E,3E)-4-phenylbuta-1,3-dienyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.11502 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.12230 163.1
[M+Na]+ 287.10424 177.6
[M+NH4]+ 282.14884 171.1
[M+K]+ 303.07818 168.6
[M-H]- 263.10774 167.3
[M+Na-2H]- 285.08969 172.1
[M]+ 264.11447 166.4
[M]- 264.11557 166.4
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.