CID 3054653

Brn 2999248

Structural Information

Molecular Formula
C21H19ClO2
SMILES
C1=CC=C(C=C1)C(CO)OC2=CC=C(C=C2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H19ClO2/c22-19-10-6-16(7-11-19)14-17-8-12-20(13-9-17)24-21(15-23)18-4-2-1-3-5-18/h1-13,21,23H,14-15H2
InChIKey
VRRHKUJQICOAEB-UHFFFAOYSA-N
Compound name
2-[4-[(4-chlorophenyl)methyl]phenoxy]-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

338.10736 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11464 181.0
[M+Na]+ 361.09658 198.4
[M+NH4]+ 356.14118 190.4
[M+K]+ 377.07052 187.9
[M-H]- 337.10008 188.3
[M+Na-2H]- 359.08203 192.7
[M]+ 338.10681 186.2
[M]- 338.10791 186.2
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

patents stripe