CID 25059

2,2-dibromo-2-cyanoacetamide

Structural Information

Molecular Formula

C₃H₂Br₂N₂O

SMILES

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

InChI

InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)

InChIKey

UUIVKBHZENILKB-UHFFFAOYSA-N

Compound name

2,2-dibromo-2-cyanoacetamide

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 19
References: 6649
Patents: 239.8534 Da
Monoisotopic Mass: 0.6
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]+	240.86068	141.7
[M+Na]+	262.84262	136.2
[M+NH4]+	257.88722	141.5
[M+K]+	278.81656	141.2
[M-H]-	238.84612	136.9
[M+Na-2H]-	260.82807	140.6
[M]+	239.85285	138.0
[M]-	239.85395	138.0

Literature stripe

literature stripe

Patent stripe

patents stripe