CID 176206

68083-59-0

Structural Information

Molecular Formula
C21H20O2
SMILES
C1=CC=C(C=C1)CC2=CC=C(C=C2)C3=CC=C(C=C3)OCCO
InChI
InChI=1S/C21H20O2/c22-14-15-23-21-12-10-20(11-13-21)19-8-6-18(7-9-19)16-17-4-2-1-3-5-17/h1-13,22H,14-16H2
InChIKey
WTORYXAGJLVHRI-UHFFFAOYSA-N
Compound name
2-[4-(4-benzylphenyl)phenoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

304.14633 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.15361 172.9
[M+Na]+ 327.13555 179.0
[M-H]- 303.13905 180.8
[M+NH4]+ 322.18015 186.5
[M+K]+ 343.10949 173.1
[M+H-H2O]+ 287.14359 163.6
[M+HCOO]- 349.14453 195.0
[M+CH3COO]- 363.16018 183.7
[M+Na-2H]- 325.12100 177.6
[M]+ 304.14578 173.2
[M]- 304.14688 173.2
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.