CID 2736284

1-(bromodifluoromethoxy)-4-nitrobenzene

Structural Information

Molecular Formula

C₇H₄BrF₂NO₃

SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(F)(F)Br

InChI

InChI=1S/C7H4BrF2NO3/c8-7(9,10)14-6-3-1-5(2-4-6)11(12)13/h1-4H

InChIKey

JPNHCEIQOASHOX-UHFFFAOYSA-N

Compound name

1-[bromo(difluoro)methoxy]-4-nitrobenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 266.93427 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]+	267.94155	146.9
[M+Na]+	289.92349	158.3
[M-H]-	265.92699	151.1
[M+NH4]+	284.96809	166.2
[M+K]+	305.89743	144.1
[M+H-H2O]+	249.93153	149.6
[M+HCOO]-	311.93247	167.3
[M+CH3COO]-	325.94812	185.9
[M+Na-2H]-	287.90894	156.4
[M]+	266.93372	163.2
[M]-	266.93482	163.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe