CID 3063983

101931-56-0

Structural Information

Molecular Formula
C6H7ClF6O2
SMILES
C(C(CCl)O)C(C(F)(F)F)(C(F)(F)F)O
InChI
InChI=1S/C6H7ClF6O2/c7-2-3(14)1-4(15,5(8,9)10)6(11,12)13/h3,14-15H,1-2H2
InChIKey
GAOZSJYNOQPCSY-UHFFFAOYSA-N
Compound name
5-chloro-1,1,1-trifluoro-2-(trifluoromethyl)pentane-2,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.00388 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.01116 142.4
[M+Na]+ 282.99310 150.9
[M-H]- 258.99660 132.9
[M+NH4]+ 278.03770 158.6
[M+K]+ 298.96704 146.9
[M+H-H2O]+ 243.00114 135.3
[M+HCOO]- 305.00208 147.5
[M+CH3COO]- 319.01773 187.6
[M+Na-2H]- 280.97855 146.2
[M]+ 260.00333 134.5
[M]- 260.00443 134.5
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.