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

391
Patents

214.02286 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.030136 134.6
[M+Na]+ 237.012078 143.1
[M-H]- 213.015584 125.2
[M+NH4]+ 232.056683 152.2
[M+K]+ 252.986018 141.6
[M+H-H2O]+ 197.020120 125.8
[M+HCOO]- 259.021061 144.3
[M+CH3COO]- 273.036711 185.3
[M+Na-2H]- 234.997526 138.6
[M]+ 214.02231142 123.2
[M]- 214.02340858 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