CID 13257766

2,2,2-tribromoacetamide

Structural Information

Molecular Formula

C₂H₂Br₃NO

SMILES

C(=O)(C(Br)(Br)Br)N

InChI

InChI=1S/C2H2Br3NO/c3-2(4,5)1(6)7/h(H2,6,7)

InChIKey

ORCCSQMJUGMAQU-UHFFFAOYSA-N

Compound name

2,2,2-tribromoacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 446
Patents: 292.76865 Da
Monoisotopic Mass: 1.5
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]+	293.775926	136.3
[M+Na]+	315.757868	144.3
[M-H]-	291.761374	139.7
[M+NH4]+	310.802473	151.9
[M+K]+	331.731808	128.0
[M+H-H2O]+	275.765910	149.9
[M+HCOO]-	337.766851	145.7
[M+CH3COO]-	351.782501	213.5
[M+Na-2H]-	313.743316	141.7
[M]+	292.76810142	174.7
[M]-	292.76919858	174.7

Literature stripe

literature stripe

Patent stripe

patents stripe