CID 5373890

26631-70-9

Structural Information

Molecular Formula

C₄H₄Br₂O₂

SMILES

COC(=O)/C(=C/Br)/Br

InChI

InChI=1S/C4H4Br2O2/c1-8-4(7)3(6)2-5/h2H,1H3/b3-2-

InChIKey

CBTTXLCKHFLDPW-IHWYPQMZSA-N

Compound name

methyl (Z)-2,3-dibromoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 241.8578 Da
Monoisotopic Mass: 1.9
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]+	242.86508	135.6
[M+Na]+	264.84702	129.4
[M+NH4]+	259.89162	137.0
[M+K]+	280.82096	137.0
[M-H]-	240.85052	134.3
[M+Na-2H]-	262.83247	135.7
[M]+	241.85725	133.0
[M]-	241.85835	133.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.