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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	369.048476	181.3
[M+Na]+	391.030418	190.6
[M-H]-	367.033924	191.7
[M+NH4]+	386.075023	196.3
[M+K]+	407.004358	178.2
[M+H-H2O]+	351.038460	179.6
[M+HCOO]-	413.039401	199.6
[M+CH3COO]-	427.055051	208.8
[M+Na-2H]-	389.015866	187.7
[M]+	368.04065142	199.4
[M]-	368.04174858	199.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.