CID 5020236

2,3-difluoro-4-methoxybenzyl bromide

Structural Information

Molecular Formula

C₈H₇BrF₂O

SMILES

COC1=C(C(=C(C=C1)CBr)F)F

InChI

InChI=1S/C8H7BrF2O/c1-12-6-3-2-5(4-9)7(10)8(6)11/h2-3H,4H2,1H3

InChIKey

AMLNZEUOTXDYNB-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-2,3-difluoro-4-methoxybenzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 48
Patents: 235.96483 Da
Monoisotopic Mass: 2.7
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]+	236.972106	139.4
[M+Na]+	258.954048	153.0
[M-H]-	234.957554	143.9
[M+NH4]+	253.998653	161.4
[M+K]+	274.927988	142.0
[M+H-H2O]+	218.962090	138.3
[M+HCOO]-	280.963031	159.8
[M+CH3COO]-	294.978681	189.4
[M+Na-2H]-	256.939496	145.7
[M]+	235.96428142	157.6
[M]-	235.96537858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe