CID 12707843

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

Structural Information

Molecular Formula
C9H5BrF6O
SMILES
C1=CC=C(C(=C1)C(C(F)(F)F)(C(F)(F)F)O)Br
InChI
InChI=1S/C9H5BrF6O/c10-6-4-2-1-3-5(6)7(17,8(11,12)13)9(14,15)16/h1-4,17H
InChIKey
XXIHOAKCDPPBFG-UHFFFAOYSA-N
Compound name
2-(2-bromophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.9428 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.95008 164.9
[M+Na]+ 344.93202 177.3
[M-H]- 320.93552 163.0
[M+NH4]+ 339.97662 182.2
[M+K]+ 360.90596 164.6
[M+H-H2O]+ 304.94006 161.2
[M+HCOO]- 366.94100 174.9
[M+CH3COO]- 380.95665 198.4
[M+Na-2H]- 342.91747 170.3
[M]+ 321.94225 173.9
[M]- 321.94335 173.9
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.