CID 108438

60313-17-9

Structural Information

Molecular Formula
C20H17BrO
SMILES
C1=CC=C(C=C1)CC(C2=CC=C(C=C2)C3=CC=C(C=C3)Br)O
InChI
InChI=1S/C20H17BrO/c21-19-12-10-17(11-13-19)16-6-8-18(9-7-16)20(22)14-15-4-2-1-3-5-15/h1-13,20,22H,14H2
InChIKey
MSFKWIPDXNDLPZ-UHFFFAOYSA-N
Compound name
1-[4-(4-bromophenyl)phenyl]-2-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.0463 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.05358 177.8
[M+Na]+ 375.03552 186.5
[M-H]- 351.03902 187.9
[M+NH4]+ 370.08012 193.3
[M+K]+ 391.00946 173.5
[M+H-H2O]+ 335.04356 176.0
[M+HCOO]- 397.04450 196.5
[M+CH3COO]- 411.06015 190.0
[M+Na-2H]- 373.02097 182.4
[M]+ 352.04575 194.5
[M]- 352.04685 194.5
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

No patent data available for this compound.