CID 2779091

4,4,5,5,6,6,7,7,7-nonafluoro-1-heptanol

Structural Information

Molecular Formula
C7H7F9O
SMILES
C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CO
InChI
InChI=1S/C7H7F9O/c8-4(9,2-1-3-17)5(10,11)6(12,13)7(14,15)16/h17H,1-3H2
InChIKey
OVBNEUIFHDEQHD-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluoroheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

452
Patents

278.0353 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04258 150.5
[M+Na]+ 301.02452 158.9
[M-H]- 277.02802 138.6
[M+NH4]+ 296.06912 165.3
[M+K]+ 316.99846 156.0
[M+H-H2O]+ 261.03256 139.9
[M+HCOO]- 323.03350 156.8
[M+CH3COO]- 337.04915 197.1
[M+Na-2H]- 299.00997 154.3
[M]+ 278.03475 137.0
[M]- 278.03585 137.0
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