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 179.2
[M+Na]+ 361.09658 185.9
[M-H]- 337.10008 187.0
[M+NH4]+ 356.14118 192.3
[M+K]+ 377.07052 178.8
[M+H-H2O]+ 321.10462 170.7
[M+HCOO]- 383.10556 195.8
[M+CH3COO]- 397.12121 189.5
[M+Na-2H]- 359.08203 182.3
[M]+ 338.10681 181.5
[M]- 338.10791 181.5
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