CID 22913901

958454-32-5

Structural Information

Molecular Formula

C₈H₇BrF₂O

SMILES

C1=CC(=CC=C1OCC(F)F)Br

InChI

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

InChIKey

RQBDHUILPDSTMV-UHFFFAOYSA-N

Compound name

1-bromo-4-(2,2-difluoroethoxy)benzene

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
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]+	236.97211	145.6
[M+Na]+	258.95405	148.0
[M+NH4]+	253.99865	149.7
[M+K]+	274.92799	147.4
[M-H]-	234.95755	143.9
[M+Na-2H]-	256.93950	148.2
[M]+	235.96428	144.2
[M]-	235.96538	144.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe