CID 23426733

1,1-dibromo-3-iodopropan-2-one

Structural Information

Molecular Formula

C₃H₃Br₂IO

SMILES

C(C(=O)C(Br)Br)I

InChI

InChI=1S/C3H3Br2IO/c4-3(5)2(7)1-6/h3H,1H2

InChIKey

UDPFVNCNMONXIZ-UHFFFAOYSA-N

Compound name

1,1-dibromo-3-iodopropan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 339.75955 Da
Monoisotopic Mass: 2.3
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]+	340.76683	136.8
[M+Na]+	362.74877	142.0
[M-H]-	338.75227	135.9
[M+NH4]+	357.79337	153.7
[M+K]+	378.72271	132.4
[M+H-H2O]+	322.75681	141.6
[M+HCOO]-	384.75775	148.3
[M+CH3COO]-	398.77340	201.0
[M+Na-2H]-	360.73422	133.9
[M]+	339.75900	166.1
[M]-	339.76010	166.1

Literature stripe

literature stripe

Patent stripe

patents stripe