CID 78992

3,3,4,4,5,5,5-heptafluoropentan-2-ol

Structural Information

Molecular Formula
C5H5F7O
SMILES
CC(C(C(C(F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5H5F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h2,13H,1H3
InChIKey
RBPHBIMHZSTIDT-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoropentan-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

457
Patents

214.02286 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.03014 134.6
[M+Na]+ 237.01208 143.1
[M-H]- 213.01558 125.2
[M+NH4]+ 232.05668 152.2
[M+K]+ 252.98602 141.6
[M+H-H2O]+ 197.02012 125.8
[M+HCOO]- 259.02106 144.3
[M+CH3COO]- 273.03671 185.3
[M+Na-2H]- 234.99753 138.6
[M]+ 214.02231 123.2
[M]- 214.02341 123.2
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

patents stripe