CID 74503

7-bromo-3-hydroxy-2-naphthoic acid

Structural Information

Molecular Formula

C₁₁H₇BrO₃

SMILES

C1=CC(=CC2=CC(=C(C=C21)O)C(=O)O)Br

InChI

InChI=1S/C11H7BrO3/c12-8-2-1-6-5-10(13)9(11(14)15)4-7(6)3-8/h1-5,13H,(H,14,15)

InChIKey

XZWXQSGFZHRDNB-UHFFFAOYSA-N

Compound name

7-bromo-3-hydroxynaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 194
Patents: 265.95786 Da
Monoisotopic Mass: 3.6
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]+	266.96514	145.3
[M+Na]+	288.94708	149.5
[M+NH4]+	283.99168	150.0
[M+K]+	304.92102	149.9
[M-H]-	264.95058	145.5
[M+Na-2H]-	286.93253	148.2
[M]+	265.95731	144.7
[M]-	265.95841	144.7

Literature stripe

literature stripe

Patent stripe

patents stripe