CID 9904800

4,6-dibromo-3-hydroxyanthranilic acid

Structural Information

Molecular Formula

C₇H₅Br₂NO₃

SMILES

C1=C(C(=C(C(=C1Br)O)N)C(=O)O)Br

InChI

InChI=1S/C7H5Br2NO3/c8-2-1-3(9)6(11)5(10)4(2)7(12)13/h1,11H,10H2,(H,12,13)

InChIKey

SEAVVBUQSYHVKP-UHFFFAOYSA-N

Compound name

2-amino-4,6-dibromo-3-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 13
Patents: 308.86362 Da
Monoisotopic Mass: 2.3
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]+	309.87090	141.7
[M+Na]+	331.85284	152.3
[M-H]-	307.85634	146.3
[M+NH4]+	326.89744	158.8
[M+K]+	347.82678	135.8
[M+H-H2O]+	291.86088	148.3
[M+HCOO]-	353.86182	155.9
[M+CH3COO]-	367.87747	203.2
[M+Na-2H]-	329.83829	145.8
[M]+	308.86307	173.4
[M]-	308.86417	173.4

Literature stripe

literature stripe

Patent stripe

patents stripe