CID 12063

3,5-dibromobenzoic acid

Structural Information

Molecular Formula

C₇H₄Br₂O₂

SMILES

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

InChI

InChI=1S/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)

InChIKey

SFTFNJZWZHASAQ-UHFFFAOYSA-N

Compound name

3,5-dibromobenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 985
Patents: 277.8578 Da
Monoisotopic Mass: 3.0
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]+	278.86508	141.9
[M+Na]+	300.84702	137.2
[M+NH4]+	295.89162	143.8
[M+K]+	316.82096	144.1
[M-H]-	276.85052	142.2
[M+Na-2H]-	298.83247	143.5
[M]+	277.85725	140.2
[M]-	277.85835	140.2

Literature stripe

literature stripe

Patent stripe

patents stripe