CID 2737001

4-(difluoromethoxy)benzyl bromide

Structural Information

Molecular Formula

C₈H₇BrF₂O

SMILES

C1=CC(=CC=C1CBr)OC(F)F

InChI

InChI=1S/C8H7BrF2O/c9-5-6-1-3-7(4-2-6)12-8(10)11/h1-4,8H,5H2

InChIKey

IFNMJBFIRKAQBT-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-4-(difluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 435
Patents: 235.96483 Da
Monoisotopic Mass: 3.4
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	141.5
[M+Na]+	258.954048	153.1
[M-H]-	234.957554	145.4
[M+NH4]+	253.998653	162.9
[M+K]+	274.927988	142.5
[M+H-H2O]+	218.962090	140.2
[M+HCOO]-	280.963031	161.0
[M+CH3COO]-	294.978681	188.0
[M+Na-2H]-	256.939496	147.8
[M]+	235.96428142	158.5
[M]-	235.96537858	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe