CID 2769661

5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol

Structural Information

Molecular Formula
C8H9F9O
SMILES
C(CCO)CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C8H9F9O/c9-5(10,3-1-2-4-18)6(11,12)7(13,14)8(15,16)17/h18H,1-4H2
InChIKey
FROXCSGRCWYTIE-UHFFFAOYSA-N
Compound name
5,5,6,6,7,7,8,8,8-nonafluorooctan-1-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

47
References

32
Patents

292.05096 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.05824 155.2
[M+Na]+ 315.04018 163.2
[M-H]- 291.04368 143.2
[M+NH4]+ 310.08478 169.5
[M+K]+ 331.01412 160.1
[M+H-H2O]+ 275.04822 144.4
[M+HCOO]- 337.04916 161.1
[M+CH3COO]- 351.06481 200.0
[M+Na-2H]- 313.02563 158.5
[M]+ 292.05041 142.0
[M]- 292.05151 142.0
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