CID 293551

101931-61-7

Structural Information

Molecular Formula
C6H6Cl2F6O
SMILES
CC(CC(C(F)(F)F)(C(F)(F)F)O)(Cl)Cl
InChI
InChI=1S/C6H6Cl2F6O/c1-3(7,8)2-4(15,5(9,10)11)6(12,13)14/h15H,2H2,1H3
InChIKey
QLVOOYXXQZSRGC-UHFFFAOYSA-N
Compound name
4,4-dichloro-1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.97 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.97728 143.5
[M+Na]+ 300.95922 153.4
[M-H]- 276.96272 135.5
[M+NH4]+ 296.00382 160.3
[M+K]+ 316.93316 148.2
[M+H-H2O]+ 260.96726 137.3
[M+HCOO]- 322.96820 144.6
[M+CH3COO]- 336.98385 192.7
[M+Na-2H]- 298.94467 149.2
[M]+ 277.96945 137.2
[M]- 277.97055 137.2
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.