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]+ 267.101576 166.1
[M+Na]+ 289.083518 175.9
[M-H]- 265.087024 168.0
[M+NH4]+ 284.128123 179.4
[M+K]+ 305.057458 168.1
[M+H-H2O]+ 249.091560 153.2
[M+HCOO]- 311.092501 181.7
[M+CH3COO]- 325.108151 197.1
[M+Na-2H]- 287.068966 168.7
[M]+ 266.09375142 160.3
[M]- 266.09484858 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.