CID 74502

1779-10-8

Structural Information

Molecular Formula

C₁₁H₆Br₂O₃

SMILES

C1=CC2=C(C(=C(C=C2C=C1Br)C(=O)O)O)Br

InChI

InChI=1S/C11H6Br2O3/c12-6-1-2-7-5(3-6)4-8(11(15)16)10(14)9(7)13/h1-4,14H,(H,15,16)

InChIKey

WNMKUIQCIRAXBN-UHFFFAOYSA-N

Compound name

4,7-dibromo-3-hydroxynaphthalene-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 148
Patents: 343.86838 Da
Monoisotopic Mass: 4.3
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]+	344.87566	153.0
[M+Na]+	366.85760	148.5
[M+NH4]+	361.90220	154.6
[M+K]+	382.83154	155.3
[M-H]-	342.86110	153.3
[M+Na-2H]-	364.84305	153.8
[M]+	343.86783	151.3
[M]-	343.86893	151.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe