CID 59580

102585-33-1

Structural Information

Molecular Formula

C₅H₆BrCl₂NO

SMILES

C=C(CNC(=O)C(Cl)Cl)Br

InChI

InChI=1S/C5H6BrCl2NO/c1-3(6)2-9-5(10)4(7)8/h4H,1-2H2,(H,9,10)

InChIKey

PYCYRGHWAUTMJM-UHFFFAOYSA-N

Compound name

N-(2-bromoprop-2-enyl)-2,2-dichloroacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 244.90099 Da
Monoisotopic Mass: 2.0
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]+	245.90827	139.4
[M+Na]+	267.89021	151.1
[M-H]-	243.89371	142.1
[M+NH4]+	262.93481	161.1
[M+K]+	283.86415	137.4
[M+H-H2O]+	227.89825	141.4
[M+HCOO]-	289.89919	150.6
[M+CH3COO]-	303.91484	189.6
[M+Na-2H]-	265.87566	143.7
[M]+	244.90044	158.2
[M]-	244.90154	158.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.