CID 382490

Nsc670096

Structural Information

Molecular Formula

C₇H₈F₅NO₂

SMILES

CCOC(=O)N(C)C(=C(F)F)C(F)(F)F

InChI

InChI=1S/C7H8F5NO2/c1-3-15-6(14)13(2)4(5(8)9)7(10,11)12/h3H2,1-2H3

InChIKey

PLGZDWIMJGCHPX-UHFFFAOYSA-N

Compound name

ethyl N-methyl-N-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 233.04752 Da
Monoisotopic Mass: 1.9
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]+	234.05480	143.0
[M+Na]+	256.03674	150.0
[M-H]-	232.04024	138.3
[M+NH4]+	251.08134	161.0
[M+K]+	272.01068	150.3
[M+H-H2O]+	216.04478	133.8
[M+HCOO]-	278.04572	159.1
[M+CH3COO]-	292.06137	194.8
[M+Na-2H]-	254.02219	143.2
[M]+	233.04697	137.4
[M]-	233.04807	137.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.