CID 433483

2-(4-phenylphenyl)penta-3,4-dien-2-ol

Structural Information

Molecular Formula
C17H16O
SMILES
CC(C=C=C)(C1=CC=C(C=C1)C2=CC=CC=C2)O
InChI
InChI=1S/C17H16O/c1-3-13-17(2,18)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-13,18H,1H2,2H3
InChIKey
OCKIAGKFXQICLF-UHFFFAOYSA-N
Compound name
2-(4-phenylphenyl)penta-3,4-dien-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

236.12012 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.12740 154.8
[M+Na]+ 259.10934 161.8
[M-H]- 235.11284 160.1
[M+NH4]+ 254.15394 171.8
[M+K]+ 275.08328 156.1
[M+H-H2O]+ 219.11738 148.2
[M+HCOO]- 281.11832 175.8
[M+CH3COO]- 295.13397 189.6
[M+Na-2H]- 257.09479 160.8
[M]+ 236.11957 153.0
[M]- 236.12067 153.0
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

patents stripe