CID 2782534

3,3,4,4,5,5,5-heptafluoropentan-1-ol

Structural Information

Molecular Formula
C5H5F7O
SMILES
C(CO)C(C(C(F)(F)F)(F)F)(F)F
InChI
InChI=1S/C5H5F7O/c6-3(7,1-2-13)4(8,9)5(10,11)12/h13H,1-2H2
InChIKey
ROTSWXZIBBJEPH-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,5-heptafluoropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

89
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 135.5
[M+Na]+ 237.01208 144.3
[M-H]- 213.01558 126.1
[M+NH4]+ 232.05668 153.2
[M+K]+ 252.98602 142.2
[M+H-H2O]+ 197.02012 126.6
[M+HCOO]- 259.02106 146.1
[M+CH3COO]- 273.03671 184.5
[M+Na-2H]- 234.99753 140.6
[M]+ 214.02231 124.9
[M]- 214.02341 124.9
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