CID 10033

9-fluorononanal

Structural Information

Molecular Formula
C9H17FO
SMILES
C(CCCCF)CCCC=O
InChI
InChI=1S/C9H17FO/c10-8-6-4-2-1-3-5-7-9-11/h9H,1-8H2
InChIKey
APZWSYPCTAVSCA-UHFFFAOYSA-N
Compound name
9-fluorononanal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

160.12634 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13362 136.4
[M+Na]+ 183.11556 142.7
[M-H]- 159.11906 134.7
[M+NH4]+ 178.16016 157.4
[M+K]+ 199.08950 141.2
[M+H-H2O]+ 143.12360 130.6
[M+HCOO]- 205.12454 158.6
[M+CH3COO]- 219.14019 180.2
[M+Na-2H]- 181.10101 141.4
[M]+ 160.12579 138.4
[M]- 160.12689 138.4
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