CID 3499772

5-bromo-2-methoxytriphenylmethanol

Structural Information

Molecular Formula
C20H17BrO2
SMILES
COC1=C(C=C(C=C1)Br)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H17BrO2/c1-23-19-13-12-17(21)14-18(19)20(22,15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,22H,1H3
InChIKey
ZAAFSUAFYVKKBX-UHFFFAOYSA-N
Compound name
(5-bromo-2-methoxyphenyl)-diphenylmethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.0412 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.04848 176.9
[M+Na]+ 391.03042 183.4
[M+NH4]+ 386.07502 182.2
[M+K]+ 407.00436 181.0
[M-H]- 367.03392 181.5
[M+Na-2H]- 389.01587 184.9
[M]+ 368.04065 178.4
[M]- 368.04175 178.4
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.