CID 86089019

2,2,2-tribromoethyl sulfamate

Structural Information

Molecular Formula

C₂H₄Br₃NO₃S

SMILES

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

InChI

InChI=1S/C2H4Br3NO3S/c3-2(4,5)1-9-10(6,7)8/h1H2,(H2,6,7,8)

InChIKey

KROAEKDTRQFVOZ-UHFFFAOYSA-N

Compound name

2,2,2-tribromoethyl sulfamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 358.7462 Da
Monoisotopic Mass: 1.3
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]+	359.75348	132.4
[M+Na]+	381.73542	141.2
[M-H]-	357.73892	136.0
[M+NH4]+	376.78002	147.0
[M+K]+	397.70936	124.1
[M+H-H2O]+	341.74346	145.9
[M+HCOO]-	403.74440	139.2
[M+CH3COO]-	417.76005	217.1
[M+Na-2H]-	379.72087	138.5
[M]+	358.74565	173.1
[M]-	358.74675	173.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.