CID 74892820

171975-85-2

Structural Information

Molecular Formula

C₁₇H₁₃BrO₂

SMILES

C1=CC=C(C=C1)COC2=C(C=C3C=CC(=CC3=C2)O)Br

InChI

InChI=1S/C17H13BrO2/c18-16-9-13-6-7-15(19)8-14(13)10-17(16)20-11-12-4-2-1-3-5-12/h1-10,19H,11H2

InChIKey

YHRCPQNCRQLBGB-UHFFFAOYSA-N

Compound name

6-bromo-7-phenylmethoxynaphthalen-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 328.0099 Da
Monoisotopic Mass: 5.0
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]+	329.01718	168.2
[M+Na]+	350.99912	179.4
[M-H]-	327.00262	177.0
[M+NH4]+	346.04372	186.3
[M+K]+	366.97306	167.0
[M+H-H2O]+	311.00716	167.2
[M+HCOO]-	373.00810	187.6
[M+CH3COO]-	387.02375	181.7
[M+Na-2H]-	348.98457	175.5
[M]+	328.00935	187.6
[M]-	328.01045	187.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe