CID 2724983

4-bromo-2,5-difluoroanisole

Structural Information

Molecular Formula

C₇H₅BrF₂O

SMILES

COC1=CC(=C(C=C1F)Br)F

InChI

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

InChIKey

OOTXNQBDWFJMNN-UHFFFAOYSA-N

Compound name

1-bromo-2,5-difluoro-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 94
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	134.6
[M+Na]+	244.93839	148.6
[M-H]-	220.94189	139.3
[M+NH4]+	239.98299	157.2
[M+K]+	260.91233	137.9
[M+H-H2O]+	204.94643	133.8
[M+HCOO]-	266.94737	155.4
[M+CH3COO]-	280.96302	186.5
[M+Na-2H]-	242.92384	141.5
[M]+	221.94862	152.5
[M]-	221.94972	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe