CID 547967

4,4,5,5,5-pentafluoro-1-pentanol

Structural Information

Molecular Formula
C5H7F5O
SMILES
C(CC(C(F)(F)F)(F)F)CO
InChI
InChI=1S/C5H7F5O/c6-4(7,2-1-3-11)5(8,9)10/h11H,1-3H2
InChIKey
QROUUECTKRZFHF-UHFFFAOYSA-N
Compound name
4,4,5,5,5-pentafluoropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1041
Patents

178.0417 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.04898 130.4
[M+Na]+ 201.03092 138.7
[M-H]- 177.03442 123.1
[M+NH4]+ 196.07552 149.7
[M+K]+ 217.00486 137.0
[M+H-H2O]+ 161.03896 122.7
[M+HCOO]- 223.03990 144.7
[M+CH3COO]- 237.05555 177.8
[M+Na-2H]- 199.01637 135.8
[M]+ 178.04115 123.2
[M]- 178.04225 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

literature stripe

Patent stripe

patents stripe