CID 67689

4-chloro-3-fluoronitrobenzene

Structural Information

Molecular Formula

C₆H₃ClFNO₂

SMILES

C1=CC(=C(C=C1[N+](=O)[O-])F)Cl

InChI

InChI=1S/C6H3ClFNO2/c7-5-2-1-4(9(10)11)3-6(5)8/h1-3H

InChIKey

CSSSAKOGRYYMSA-UHFFFAOYSA-N

Compound name

1-chloro-2-fluoro-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 174.98363 Da
Monoisotopic Mass: 2.6
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]+	175.99091	124.3
[M+Na]+	197.97285	138.9
[M+NH4]+	193.01745	133.3
[M+K]+	213.94679	134.9
[M-H]-	173.97635	126.8
[M+Na-2H]-	195.95830	131.8
[M]+	174.98308	127.3
[M]-	174.98418	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe