CID 10036625

364049-85-4

Structural Information

Molecular Formula

C₈H₄ClF₄N

SMILES

C1=CC(=CC=C1N=C(C(F)(F)F)Cl)F

InChI

InChI=1S/C8H4ClF4N/c9-7(8(11,12)13)14-6-3-1-5(10)2-4-6/h1-4H

InChIKey

RQMRLWLPPFJICW-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 224.99684 Da
Monoisotopic Mass: 3.8
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]+	226.00412	137.8
[M+Na]+	247.98606	147.8
[M-H]-	223.98956	137.9
[M+NH4]+	243.03066	157.4
[M+K]+	263.96000	143.4
[M+H-H2O]+	207.99410	129.6
[M+HCOO]-	269.99504	154.1
[M+CH3COO]-	284.01069	190.8
[M+Na-2H]-	245.97151	143.2
[M]+	224.99629	134.3
[M]-	224.99739	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe