CID 118610803

4-bromo-2-(difluoromethoxy)benzaldehyde

Structural Information

Molecular Formula

C₈H₅BrF₂O₂

SMILES

C1=CC(=C(C=C1Br)OC(F)F)C=O

InChI

InChI=1S/C8H5BrF2O2/c9-6-2-1-5(4-12)7(3-6)13-8(10)11/h1-4,8H

InChIKey

ALNGBCQWYZWDCB-UHFFFAOYSA-N

Compound name

4-bromo-2-(difluoromethoxy)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 96
Patents: 249.9441 Da
Monoisotopic Mass: 3.0
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]+	250.95138	147.8
[M+Na]+	272.93332	150.1
[M+NH4]+	267.97792	151.1
[M+K]+	288.90726	150.0
[M-H]-	248.93682	145.4
[M+Na-2H]-	270.91877	149.7
[M]+	249.94355	146.1
[M]-	249.94465	146.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe