CID 5184557

2-bromo-3-methyl-1,4-naphthalenediol

Structural Information

Molecular Formula

C₁₁H₉BrO₂

SMILES

CC1=C(C2=CC=CC=C2C(=C1Br)O)O

InChI

InChI=1S/C11H9BrO2/c1-6-9(12)11(14)8-5-3-2-4-7(8)10(6)13/h2-5,13-14H,1H3

InChIKey

RKLZIYSQSHJQFC-UHFFFAOYSA-N

Compound name

2-bromo-3-methylnaphthalene-1,4-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 251.97859 Da
Monoisotopic Mass: 3.5
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]+	252.98587	144.0
[M+Na]+	274.96781	149.2
[M+NH4]+	270.01241	149.5
[M+K]+	290.94175	148.7
[M-H]-	250.97131	145.1
[M+Na-2H]-	272.95326	147.5
[M]+	251.97804	144.0
[M]-	251.97914	144.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe