CID 131753147

(e)-4-[5-(4-hydroxyphenoxy)-3-penten-1-ynyl]phenol

Structural Information

Molecular Formula
C17H14O3
SMILES
C1=CC(=CC=C1C#C/C=C\COC2=CC=C(C=C2)O)O
InChI
InChI=1S/C17H14O3/c18-15-7-5-14(6-8-15)4-2-1-3-13-20-17-11-9-16(19)10-12-17/h1,3,5-12,18-19H,13H2/b3-1-
InChIKey
GXRXAVMCQJHRCM-IWQZZHSRSA-N
Compound name
4-[(Z)-5-(4-hydroxyphenoxy)pent-3-en-1-ynyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.0943 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.10158 166.1
[M+Na]+ 289.08352 175.9
[M-H]- 265.08702 168.0
[M+NH4]+ 284.12812 179.4
[M+K]+ 305.05746 168.1
[M+H-H2O]+ 249.09156 153.2
[M+HCOO]- 311.09250 181.7
[M+CH3COO]- 325.10815 197.1
[M+Na-2H]- 287.06897 168.7
[M]+ 266.09375 160.3
[M]- 266.09485 160.3
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.