CID 10901348

34757-17-0

Structural Information

Molecular Formula

C₅H₈Br₂O₂

SMILES

CCOC(=O)C(C)(Br)Br

InChI

InChI=1S/C5H8Br2O2/c1-3-9-4(8)5(2,6)7/h3H2,1-2H3

InChIKey

DCPDRQNPPXSXIB-UHFFFAOYSA-N

Compound name

ethyl 2,2-dibromopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 257.8891 Da
Monoisotopic Mass: 2.4
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]+	258.89638	136.0
[M+Na]+	280.87832	146.9
[M-H]-	256.88182	140.3
[M+NH4]+	275.92292	156.4
[M+K]+	296.85226	132.3
[M+H-H2O]+	240.88636	144.3
[M+HCOO]-	302.88730	150.7
[M+CH3COO]-	316.90295	197.2
[M+Na-2H]-	278.86377	143.4
[M]+	257.88855	170.8
[M]-	257.88965	170.8

Literature stripe

literature stripe

Patent stripe

patents stripe