CID 24862262

1024000-63-2

Structural Information

Molecular Formula

C₄H₄BrIO₂

SMILES

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

InChI

InChI=1S/C4H4BrIO2/c1-8-4(7)3(5)2-6/h2H,1H3/b3-2-

InChIKey

AUSKQHVUTAMKOG-IHWYPQMZSA-N

Compound name

methyl (Z)-2-bromo-3-iodoprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 289.84393 Da
Monoisotopic Mass: 2.1
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]+	290.85121	138.6
[M+Na]+	312.83315	143.2
[M-H]-	288.83665	135.6
[M+NH4]+	307.87775	157.1
[M+K]+	328.80709	139.7
[M+H-H2O]+	272.84119	135.9
[M+HCOO]-	334.84213	154.5
[M+CH3COO]-	348.85778	185.9
[M+Na-2H]-	310.81860	133.2
[M]+	289.84338	154.1
[M]-	289.84448	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.