CID 131751408

3-[(1z,4z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol

Structural Information

Molecular Formula
C17H16O2
SMILES
C1=CC(=CC(=C1)O)/C=C\C/C=C\C2=CC=C(C=C2)O
InChI
InChI=1S/C17H16O2/c18-16-11-9-14(10-12-16)5-2-1-3-6-15-7-4-8-17(19)13-15/h2-13,18-19H,1H2/b5-2-,6-3-
InChIKey
AZKBYAXRLNBEPV-SXUARNTMSA-N
Compound name
3-[(1Z,4Z)-5-(4-hydroxyphenyl)penta-1,4-dienyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.11504 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.12232 158.6
[M+Na]+ 275.10426 165.7
[M-H]- 251.10776 162.5
[M+NH4]+ 270.14886 174.4
[M+K]+ 291.07820 159.2
[M+H-H2O]+ 235.11230 151.6
[M+HCOO]- 297.11324 179.9
[M+CH3COO]- 311.12889 189.4
[M+Na-2H]- 273.08971 162.7
[M]+ 252.11449 157.1
[M]- 252.11559 157.1
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.