CID 112699145

3-(4-bromophenyl)-1,1-difluoropropan-2-ol

Structural Information

Molecular Formula
C9H9BrF2O
SMILES
C1=CC(=CC=C1CC(C(F)F)O)Br
InChI
InChI=1S/C9H9BrF2O/c10-7-3-1-6(2-4-7)5-8(13)9(11)12/h1-4,8-9,13H,5H2
InChIKey
VENJKVUBAIINLJ-UHFFFAOYSA-N
Compound name
3-(4-bromophenyl)-1,1-difluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.98048 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.98776 147.7
[M+Na]+ 272.96970 158.1
[M-H]- 248.97320 150.1
[M+NH4]+ 268.01430 167.7
[M+K]+ 288.94364 146.7
[M+H-H2O]+ 232.97774 146.3
[M+HCOO]- 294.97868 164.4
[M+CH3COO]- 308.99433 189.1
[M+Na-2H]- 270.95515 151.6
[M]+ 249.97993 162.5
[M]- 249.98103 162.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.