CID 145915576

1704235-40-4

Structural Information

Molecular Formula

C₈H₄ClF₄NO

SMILES

C1=C(C=C(C=C1C(F)(F)F)F)/C(=N/O)/Cl

InChI

InChI=1S/C8H4ClF4NO/c9-7(14-15)4-1-5(8(11,12)13)3-6(10)2-4/h1-3,15H/b14-7-

InChIKey

YZRGMRRGXMSXAV-AUWJEWJLSA-N

Compound name

(1Z)-3-fluoro-N-hydroxy-5-(trifluoromethyl)benzenecarboximidoyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.99176 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]+	241.999036	140.7
[M+Na]+	263.980978	151.1
[M-H]-	239.984484	139.8
[M+NH4]+	259.025583	159.1
[M+K]+	279.954918	146.4
[M+H-H2O]+	223.989020	132.9
[M+HCOO]-	285.989961	155.7
[M+CH3COO]-	300.005611	191.3
[M+Na-2H]-	261.966426	145.0
[M]+	240.99121142	137.1
[M]-	240.99230858	137.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.