CID 109065

61219-95-2

Structural Information

Molecular Formula

C₁₂H₁₀Cl₂F₃NO

SMILES

C=CCN(C1=CC=CC(=C1)C(F)(F)F)C(=O)C(Cl)Cl

InChI

InChI=1S/C12H10Cl2F3NO/c1-2-6-18(11(19)10(13)14)9-5-3-4-8(7-9)12(15,16)17/h2-5,7,10H,1,6H2

InChIKey

WWINJKYFUBEFBE-UHFFFAOYSA-N

Compound name

2,2-dichloro-N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 311.00916 Da
Monoisotopic Mass: 4.2
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]+	312.016436	159.8
[M+Na]+	333.998378	168.3
[M-H]-	310.001884	160.3
[M+NH4]+	329.042983	176.3
[M+K]+	349.972318	162.7
[M+H-H2O]+	294.006420	152.8
[M+HCOO]-	356.007361	169.6
[M+CH3COO]-	370.023011	207.0
[M+Na-2H]-	331.983826	160.9
[M]+	311.00861142	160.0
[M]-	311.00970858	160.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe