CID 25067361

2-bromo-3,4-difluoro-1-methoxy-benzene

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: 26
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]+	222.956446	134.6
[M+Na]+	244.938388	148.6
[M-H]-	220.941894	139.3
[M+NH4]+	239.982993	157.2
[M+K]+	260.912328	137.9
[M+H-H2O]+	204.946430	133.8
[M+HCOO]-	266.947371	155.4
[M+CH3COO]-	280.963021	186.5
[M+Na-2H]-	242.923836	141.5
[M]+	221.94862142	152.5
[M]-	221.94971858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe