CID 6452338

2-chloro-6-fluorophenylchlorooxime

Structural Information

Molecular Formula

C₇H₄Cl₂FNO

SMILES

C1=CC(=C(C(=C1)Cl)/C(=N\O)/Cl)F

InChI

InChI=1S/C7H4Cl2FNO/c8-4-2-1-3-5(10)6(4)7(9)11-12/h1-3,12H/b11-7+

InChIKey

XQUJVGVNTYDLIG-YRNVUSSQSA-N

Compound name

(1E)-2-chloro-6-fluoro-N-hydroxybenzenecarboximidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 206.9654 Da
Monoisotopic Mass: 3.3
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]+	207.97268	134.6
[M+Na]+	229.95462	145.2
[M-H]-	205.95812	136.9
[M+NH4]+	224.99922	154.9
[M+K]+	245.92856	140.1
[M+H-H2O]+	189.96266	130.3
[M+HCOO]-	251.96360	149.7
[M+CH3COO]-	265.97925	184.9
[M+Na-2H]-	227.94007	139.8
[M]+	206.96485	135.9
[M]-	206.96595	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe