CID 68968

Octanoyl fluoride

Structural Information

Molecular Formula
C8H15FO
SMILES
CCCCCCCC(=O)F
InChI
InChI=1S/C8H15FO/c1-2-3-4-5-6-7-8(9)10/h2-7H2,1H3
InChIKey
WQTODPKAIPOSLC-UHFFFAOYSA-N
Compound name
octanoyl fluoride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39
Patents

146.11069 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11797 132.3
[M+Na]+ 169.09991 138.8
[M-H]- 145.10341 131.0
[M+NH4]+ 164.14451 153.8
[M+K]+ 185.07385 138.1
[M+H-H2O]+ 129.10795 126.8
[M+HCOO]- 191.10889 153.9
[M+CH3COO]- 205.12454 178.0
[M+Na-2H]- 167.08536 136.6
[M]+ 146.11014 133.3
[M]- 146.11124 133.3
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