CID 96704

Ethyl 3,5-dibromo-4-hydroxybenzoate

Structural Information

Molecular Formula

C₉H₈Br₂O₃

SMILES

CCOC(=O)C1=CC(=C(C(=C1)Br)O)Br

InChI

InChI=1S/C9H8Br2O3/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4,12H,2H2,1H3

InChIKey

RLKDCOVOJVJVFI-UHFFFAOYSA-N

Compound name

ethyl 3,5-dibromo-4-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 321.88403 Da
Monoisotopic Mass: 3.4
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]+	322.89131	150.9
[M+Na]+	344.87325	145.9
[M+NH4]+	339.91785	152.3
[M+K]+	360.84719	152.8
[M-H]-	320.87675	150.9
[M+Na-2H]-	342.85870	151.7
[M]+	321.88348	149.0
[M]-	321.88458	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe