CID 59589

N-(2-chloroallyl)trifluoroacetamide

Structural Information

Molecular Formula

C₅H₅ClF₃NO

SMILES

C=C(CNC(=O)C(F)(F)F)Cl

InChI

InChI=1S/C5H5ClF3NO/c1-3(6)2-10-4(11)5(7,8)9/h1-2H2,(H,10,11)

InChIKey

WJJHVMCXAATAKG-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 187.00117 Da
Monoisotopic Mass: 1.7
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]+	188.00845	130.7
[M+Na]+	209.99039	139.1
[M-H]-	185.99389	127.4
[M+NH4]+	205.03499	150.9
[M+K]+	225.96433	136.1
[M+H-H2O]+	169.99843	124.9
[M+HCOO]-	231.99937	145.4
[M+CH3COO]-	246.01502	181.8
[M+Na-2H]-	207.97584	134.6
[M]+	187.00062	127.1
[M]-	187.00172	127.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe