CID 136794990

Dtxsid801028683

Structural Information

Molecular Formula

C₁₃H₁₄ClF₃N₂O₂

SMILES

CCCOCC(=NC1=C(C=C(C=C1)Cl)C(F)(F)F)NC=O

InChI

InChI=1S/C13H14ClF3N2O2/c1-2-5-21-7-12(18-8-20)19-11-4-3-9(14)6-10(11)13(15,16)17/h3-4,6,8H,2,5,7H2,1H3,(H,18,19,20)

InChIKey

NZXGGWUIOKZDRF-UHFFFAOYSA-N

Compound name

N-[N-[4-chloro-2-(trifluoromethyl)phenyl]-C-(propoxymethyl)carbonimidoyl]formamide

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 0
References: 0
Patents: 322.06958 Da
Monoisotopic Mass: 3.5
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]+	323.076856	168.4
[M+Na]+	345.058798	176.5
[M-H]-	321.062304	169.3
[M+NH4]+	340.103403	184.0
[M+K]+	361.032738	171.8
[M+H-H2O]+	305.066840	159.7
[M+HCOO]-	367.067781	185.8
[M+CH3COO]-	381.083431	211.5
[M+Na-2H]-	343.044246	171.4
[M]+	322.06903142	169.7
[M]-	322.07012858	169.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.