CID 9854

8-fluoro-1-octyne

Structural Information

Molecular Formula
C8H13F
SMILES
C#CCCCCCCF
InChI
InChI=1S/C8H13F/c1-2-3-4-5-6-7-8-9/h1H,3-8H2
InChIKey
ZNVKRVWGRGBKGK-UHFFFAOYSA-N
Compound name
8-fluorooct-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

128.10013 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10741 122.2
[M+Na]+ 151.08935 131.2
[M-H]- 127.09285 120.6
[M+NH4]+ 146.13395 142.2
[M+K]+ 167.06329 129.0
[M+H-H2O]+ 111.09739 111.2
[M+HCOO]- 173.09833 139.2
[M+CH3COO]- 187.11398 183.5
[M+Na-2H]- 149.07480 127.8
[M]+ 128.09958 117.4
[M]- 128.10068 117.4
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.