CID 3064015

101932-17-6

Structural Information

Molecular Formula
C11H8Cl2F10O3
SMILES
C1CC(C(=O)C1C(C(F)(F)F)(C(F)(F)Cl)O)C(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C11H8Cl2F10O3/c12-8(14,15)6(25,10(18,19)20)3-1-2-4(5(3)24)7(26,9(13,16)17)11(21,22)23/h3-4,25-26H,1-2H2
InChIKey
NHQVPPUSILBTNL-UHFFFAOYSA-N
Compound name
2,5-bis(1-chloro-1,1,3,3,3-pentafluoro-2-hydroxypropan-2-yl)cyclopentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.9691 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.97638 176.8
[M+Na]+ 470.95832 185.9
[M-H]- 446.96182 166.6
[M+NH4]+ 466.00292 187.5
[M+K]+ 486.93226 179.6
[M+H-H2O]+ 430.96636 167.9
[M+HCOO]- 492.96730 168.4
[M+CH3COO]- 506.98295 218.5
[M+Na-2H]- 468.94377 179.3
[M]+ 447.96855 162.9
[M]- 447.96965 162.9
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.