CID 11629

8-fluorooctanal

Structural Information

Molecular Formula
C8H15FO
SMILES
C(CCCC=O)CCCF
InChI
InChI=1S/C8H15FO/c9-7-5-3-1-2-4-6-8-10/h8H,1-7H2
InChIKey
VGCYWSRWQVLEKL-UHFFFAOYSA-N
Compound name
8-fluorooctanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

146.11069 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.117966 131.7
[M+Na]+ 169.099908 138.4
[M-H]- 145.103414 130.3
[M+NH4]+ 164.144513 153.3
[M+K]+ 185.073848 137.3
[M+H-H2O]+ 129.107950 126.1
[M+HCOO]- 191.108891 154.3
[M+CH3COO]- 205.124541 177.2
[M+Na-2H]- 167.085356 137.3
[M]+ 146.11014142 133.4
[M]- 146.11123858 133.4
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

patents stripe