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: 40
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]+	238.02411	146.9
[M+Na]+	260.00605	156.4
[M+NH4]+	255.05065	152.9
[M+K]+	275.97999	150.9
[M-H]-	236.00955	144.6
[M+Na-2H]-	257.99150	151.9
[M]+	237.01628	147.6
[M]-	237.01738	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe