CID 15942204

1255706-18-3

Structural Information

Molecular Formula

C₈H₇BrF₂O

SMILES

C1=CC(=CC=C1C(C(F)F)O)Br

InChI

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

InChIKey

MACLWDXHRYFAPX-UHFFFAOYSA-N

Compound name

1-(4-bromophenyl)-2,2-difluoroethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 74
Patents: 235.96483 Da
Monoisotopic Mass: 2.6
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	142.9
[M+Na]+	258.954048	153.8
[M-H]-	234.957554	145.5
[M+NH4]+	253.998653	163.5
[M+K]+	274.927988	142.6
[M+H-H2O]+	218.962090	141.7
[M+HCOO]-	280.963031	160.0
[M+CH3COO]-	294.978681	186.3
[M+Na-2H]-	256.939496	147.4
[M]+	235.96428142	157.4
[M]-	235.96537858	157.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe