CID 3063749

101564-39-0

Structural Information

Molecular Formula
C9H10Cl2F4O2
SMILES
C1CCC(=O)C(C1)C(C(F)(F)Cl)(C(F)(F)Cl)O
InChI
InChI=1S/C9H10Cl2F4O2/c10-8(12,13)7(17,9(11,14)15)5-3-1-2-4-6(5)16/h5,17H,1-4H2
InChIKey
YUHZMPJETVFHFJ-UHFFFAOYSA-N
Compound name
2-(1,3-dichloro-1,1,3,3-tetrafluoro-2-hydroxypropan-2-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.9994 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.00668 153.3
[M+Na]+ 318.98862 161.0
[M-H]- 294.99212 149.7
[M+NH4]+ 314.03322 169.1
[M+K]+ 334.96256 155.4
[M+H-H2O]+ 278.99666 147.4
[M+HCOO]- 340.99760 154.5
[M+CH3COO]- 355.01325 195.0
[M+Na-2H]- 316.97407 156.9
[M]+ 295.99885 146.6
[M]- 295.99995 146.6
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.