CID 2773244

7594-49-2

Structural Information

Molecular Formula
C4HCl3F6O
SMILES
C(C(F)(F)F)(C(F)(F)F)(C(Cl)(Cl)Cl)O
InChI
InChI=1S/C4HCl3F6O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H
InChIKey
AMCTWDASUQVRCQ-UHFFFAOYSA-N
Compound name
1,1,1-trichloro-3,3,3-trifluoro-2-(trifluoromethyl)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

283.89972 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.906996 138.9
[M+Na]+ 306.888938 149.3
[M-H]- 282.892444 130.5
[M+NH4]+ 301.933543 155.3
[M+K]+ 322.862878 143.5
[M+H-H2O]+ 266.896980 133.5
[M+HCOO]- 328.897921 135.6
[M+CH3COO]- 342.913571 191.6
[M+Na-2H]- 304.874386 144.5
[M]+ 283.89917142 132.0
[M]- 283.90026858 132.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe