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

8
Patents

146.11069 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.11797 131.7
[M+Na]+ 169.09991 138.4
[M-H]- 145.10341 130.3
[M+NH4]+ 164.14451 153.3
[M+K]+ 185.07385 137.3
[M+H-H2O]+ 129.10795 126.1
[M+HCOO]- 191.10889 154.3
[M+CH3COO]- 205.12454 177.2
[M+Na-2H]- 167.08536 137.3
[M]+ 146.11014 133.4
[M]- 146.11124 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