CID 10421682

75999-66-5

Structural Information

Molecular Formula

C₉H₇ClF₃NO

SMILES

COC1=CC=C(C=C1)N=C(C(F)(F)F)Cl

InChI

InChI=1S/C9H7ClF3NO/c1-15-7-4-2-6(3-5-7)14-8(10)9(11,12)13/h2-5H,1H3

InChIKey

CIRVADWNFWYATJ-UHFFFAOYSA-N

Compound name

2,2,2-trifluoro-N-(4-methoxyphenyl)ethanimidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 237.01683 Da
Monoisotopic Mass: 3.7
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]+	238.024106	143.3
[M+Na]+	260.006048	152.8
[M-H]-	236.009554	144.6
[M+NH4]+	255.050653	162.4
[M+K]+	275.979988	149.1
[M+H-H2O]+	220.014090	135.7
[M+HCOO]-	282.015031	160.6
[M+CH3COO]-	296.030681	192.9
[M+Na-2H]-	257.991496	148.8
[M]+	237.01628142	142.8
[M]-	237.01737858	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe