CID 15655239

Methyl 2,2-dibromopropanoate

Structural Information

Molecular Formula

C₄H₆Br₂O₂

SMILES

CC(C(=O)OC)(Br)Br

InChI

InChI=1S/C4H6Br2O2/c1-4(5,6)3(7)8-2/h1-2H3

InChIKey

OGRACAVRFYYZQA-UHFFFAOYSA-N

Compound name

methyl 2,2-dibromopropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 13
Patents: 243.87344 Da
Monoisotopic Mass: 2.0
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]+	244.880716	131.8
[M+Na]+	266.862658	143.0
[M-H]-	242.866164	136.3
[M+NH4]+	261.907263	152.6
[M+K]+	282.836598	128.6
[M+H-H2O]+	226.870700	140.3
[M+HCOO]-	288.871641	146.8
[M+CH3COO]-	302.887291	194.9
[M+Na-2H]-	264.848106	139.7
[M]+	243.87289142	166.3
[M]-	243.87398858	166.3

Literature stripe

literature stripe

Patent stripe

patents stripe