CID 69237

Ethyl dibromoacetate

Structural Information

Molecular Formula

C₄H₆Br₂O₂

SMILES

CCOC(=O)C(Br)Br

InChI

InChI=1S/C4H6Br2O2/c1-2-8-4(7)3(5)6/h3H,2H2,1H3

InChIKey

NIJGVVHCUXNSLL-UHFFFAOYSA-N

Compound name

ethyl 2,2-dibromoacetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 179
Patents: 243.87344 Da
Monoisotopic Mass: 2.2
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]+	244.88072	136.8
[M+Na]+	266.86266	130.6
[M+NH4]+	261.90726	138.3
[M+K]+	282.83660	138.2
[M-H]-	242.86616	135.7
[M+Na-2H]-	264.84811	136.9
[M]+	243.87289	134.3
[M]-	243.87399	134.3

Literature stripe

literature stripe

Patent stripe

patents stripe