CID 25067361

2-bromo-3,4-difluoroanisole

Structural Information

Molecular Formula

C₇H₅BrF₂O

SMILES

COC1=C(C(=C(C=C1)F)F)Br

InChI

InChI=1S/C7H5BrF2O/c1-11-5-3-2-4(9)7(10)6(5)8/h2-3H,1H3

InChIKey

CSPMXYABVLJGJX-UHFFFAOYSA-N

Compound name

3-bromo-1,2-difluoro-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 221.94917 Da
Monoisotopic Mass: 2.8
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]+	222.95645	142.0
[M+Na]+	244.93839	145.5
[M+NH4]+	239.98299	146.4
[M+K]+	260.91233	144.7
[M-H]-	220.94189	140.6
[M+Na-2H]-	242.92384	144.8
[M]+	221.94862	140.9
[M]-	221.94972	140.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe