CID 5282240

4,4'-(1e)-prop-1-ene-1,2-diyldiphenol

Structural Information

Molecular Formula
C15H14O2
SMILES
C/C(=C\C1=CC=C(C=C1)O)/C2=CC=C(C=C2)O
InChI
InChI=1S/C15H14O2/c1-11(13-4-8-15(17)9-5-13)10-12-2-6-14(16)7-3-12/h2-10,16-17H,1H3/b11-10+
InChIKey
PMNXCGMIMVLCRP-ZHACJKMWSA-N
Compound name
4-[(E)-2-(4-hydroxyphenyl)prop-1-enyl]phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

3
References

573
Patents

226.09938 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10666 150.5
[M+Na]+ 249.08860 157.8
[M-H]- 225.09210 154.9
[M+NH4]+ 244.13320 167.3
[M+K]+ 265.06254 152.9
[M+H-H2O]+ 209.09664 144.0
[M+HCOO]- 271.09758 171.3
[M+CH3COO]- 285.11323 185.7
[M+Na-2H]- 247.07405 154.5
[M]+ 226.09883 148.5
[M]- 226.09993 148.5
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