CID 10027

1-fluorooctane

Structural Information

Molecular Formula
C8H17F
SMILES
CCCCCCCCF
InChI
InChI=1S/C8H17F/c1-2-3-4-5-6-7-8-9/h2-8H2,1H3
InChIKey
DHIVLKMGKIZOHF-UHFFFAOYSA-N
Compound name
1-fluorooctane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

1044
Patents

132.13142 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.13870 130.6
[M+Na]+ 155.12064 140.9
[M+NH4]+ 150.16524 138.9
[M+K]+ 171.09458 133.5
[M-H]- 131.12414 129.8
[M+Na-2H]- 153.10609 134.6
[M]+ 132.13087 131.7
[M]- 132.13197 131.7
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