CID 215055

34844-44-5

Structural Information

Molecular Formula
C8H8ClF5O2
SMILES
C1CC(C(=O)C1)C(C(F)(F)F)(C(F)(F)Cl)O
InChI
InChI=1S/C8H8ClF5O2/c9-7(10,11)6(16,8(12,13)14)4-2-1-3-5(4)15/h4,16H,1-3H2
InChIKey
GJDMZUULBCEPFY-UHFFFAOYSA-N
Compound name
2-(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

266.0133 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.02058 147.8
[M+Na]+ 289.00252 156.4
[M-H]- 265.00602 143.7
[M+NH4]+ 284.04712 166.1
[M+K]+ 304.97646 152.1
[M+H-H2O]+ 249.01056 140.9
[M+HCOO]- 311.01150 155.1
[M+CH3COO]- 325.02715 189.3
[M+Na-2H]- 286.98797 150.9
[M]+ 266.01275 139.9
[M]- 266.01385 139.9
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.