CID 59987459

2-chloro-6-fluoro-4-nitrophenol

Structural Information

Molecular Formula

C₆H₃ClFNO₃

SMILES

C1=C(C=C(C(=C1F)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C6H3ClFNO3/c7-4-1-3(9(11)12)2-5(8)6(4)10/h1-2,10H

InChIKey

DNEKNGNVVLMMLU-UHFFFAOYSA-N

Compound name

2-chloro-6-fluoro-4-nitrophenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 190.97855 Da
Monoisotopic Mass: 2.4
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]+	191.98583	127.3
[M+Na]+	213.96777	141.3
[M+NH4]+	209.01237	135.4
[M+K]+	229.94171	138.3
[M-H]-	189.97127	128.9
[M+Na-2H]-	211.95322	133.6
[M]+	190.97800	129.8
[M]-	190.97910	129.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe