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

438
Patents

250.00401 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.011286 141.0
[M+Na]+ 272.993228 150.2
[M-H]- 248.996734 129.5
[M+NH4]+ 268.037833 156.9
[M+K]+ 288.967168 147.9
[M+H-H2O]+ 233.001270 130.8
[M+HCOO]- 295.002211 148.0
[M+CH3COO]- 309.017861 191.3
[M+Na-2H]- 270.978676 145.9
[M]+ 250.00346142 126.8
[M]- 250.00455858 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

literature stripe

Patent stripe

patents stripe