CID 16760346

Tbca

Structural Information

Molecular Formula

C₉H₄Br₄O₂

SMILES

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

InChI

InChI=1S/C9H4Br4O2/c10-5-3-4(1-2-6(14)15)7(11)9(13)8(5)12/h1-3H,(H,14,15)/b2-1+

InChIKey

SVJQCVOKYJWUBC-OWOJBTEDSA-N

Compound name

(E)-3-(2,3,4,5-tetrabromophenyl)prop-2-enoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 12
References: 976
Patents: 459.6945 Da
Monoisotopic Mass: 4.6
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]+	460.70178	160.6
[M+Na]+	482.68372	155.6
[M+NH4]+	477.72832	161.4
[M+K]+	498.65766	161.9
[M-H]-	458.68722	162.4
[M+Na-2H]-	480.66917	161.7
[M]+	459.69395	160.8
[M]-	459.69505	160.8

Literature stripe

literature stripe

Patent stripe

patents stripe