CID 59582

102585-35-3

Structural Information

Molecular Formula

C₅H₅BrF₃NO

SMILES

C=C(CNC(=O)C(F)(F)F)Br

InChI

InChI=1S/C5H5BrF3NO/c1-3(6)2-10-4(11)5(7,8)9/h1-2H2,(H,10,11)

InChIKey

YDIHAWZEBRMEBT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 230.95065 Da
Monoisotopic Mass: 1.8
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]+	231.95793	141.2
[M+Na]+	253.93987	152.0
[M-H]-	229.94337	140.7
[M+NH4]+	248.98447	162.1
[M+K]+	269.91381	140.9
[M+H-H2O]+	213.94791	139.1
[M+HCOO]-	275.94885	157.8
[M+CH3COO]-	289.96450	188.1
[M+Na-2H]-	251.92532	146.0
[M]+	230.95010	154.0
[M]-	230.95120	154.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe