CID 105509097

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.98048 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.98776 147.6
[M+Na]+ 272.96970 159.0
[M-H]- 248.97320 150.2
[M+NH4]+ 268.01430 167.9
[M+K]+ 288.94364 147.1
[M+H-H2O]+ 232.97774 146.7
[M+HCOO]- 294.97868 164.7
[M+CH3COO]- 308.99433 187.9
[M+Na-2H]- 270.95515 154.5
[M]+ 249.97993 163.2
[M]- 249.98103 163.2
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.