CID 2736999

3-(difluoromethoxy)benzyl bromide

Structural Information

Molecular Formula

C₈H₇BrF₂O

SMILES

C1=CC(=CC(=C1)OC(F)F)CBr

InChI

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

InChIKey

TZYKSTKEVLDYAP-UHFFFAOYSA-N

Compound name

1-(bromomethyl)-3-(difluoromethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 174
Patents: 235.96483 Da
Monoisotopic Mass: 3.5
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]+	236.97211	141.5
[M+Na]+	258.95405	153.1
[M-H]-	234.95755	145.4
[M+NH4]+	253.99865	162.9
[M+K]+	274.92799	142.5
[M+H-H2O]+	218.96209	140.2
[M+HCOO]-	280.96303	161.0
[M+CH3COO]-	294.97868	188.0
[M+Na-2H]-	256.93950	147.8
[M]+	235.96428	158.5
[M]-	235.96538	158.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe