CID 293417

101564-40-3

Structural Information

Molecular Formula
C12H14Br2F6O2
SMILES
CC1(CC(C(C(=O)C1C(C(F)(F)F)(C(F)(F)F)O)Br)(C)Br)C
InChI
InChI=1S/C12H14Br2F6O2/c1-8(2)4-9(3,14)7(13)5(21)6(8)10(22,11(15,16)17)12(18,19)20/h6-7,22H,4H2,1-3H3
InChIKey
RRPHDQYUNKXTMD-UHFFFAOYSA-N
Compound name
2,3-dibromo-6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-3,5,5-trimethylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

461.92648 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.93376 187.9
[M+Na]+ 484.91570 199.0
[M-H]- 460.91920 187.7
[M+NH4]+ 479.96030 204.3
[M+K]+ 500.88964 182.3
[M+H-H2O]+ 444.92374 194.3
[M+HCOO]- 506.92468 190.6
[M+CH3COO]- 520.94033 223.5
[M+Na-2H]- 482.90115 190.0
[M]+ 461.92593 212.9
[M]- 461.92703 212.9
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.