CID 2782394

1h,1h-nonafluoropentan-1-ol

Structural Information

Molecular Formula
C5H3F9O
SMILES
C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O
InChI
InChI=1S/C5H3F9O/c6-2(7,1-15)3(8,9)4(10,11)5(12,13)14/h15H,1H2
InChIKey
PJRIQFXPYMVWOU-UHFFFAOYSA-N
Compound name
2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

432
Patents

250.00401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.01129 141.0
[M+Na]+ 272.99323 150.2
[M-H]- 248.99673 129.5
[M+NH4]+ 268.03783 156.9
[M+K]+ 288.96717 147.9
[M+H-H2O]+ 233.00127 130.8
[M+HCOO]- 295.00221 148.0
[M+CH3COO]- 309.01786 191.3
[M+Na-2H]- 270.97868 145.9
[M]+ 250.00346 126.8
[M]- 250.00456 126.8
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

No patent data available for this compound.