CID 11003

9-fluoro-2-nonanone

Structural Information

Molecular Formula
C9H17FO
SMILES
CC(=O)CCCCCCCF
InChI
InChI=1S/C9H17FO/c1-9(11)7-5-3-2-4-6-8-10/h2-8H2,1H3
InChIKey
XTJMCCGLJYOBSF-UHFFFAOYSA-N
Compound name
9-fluorononan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

160.12634 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.13362 137.0
[M+Na]+ 183.11556 143.1
[M-H]- 159.11906 135.5
[M+NH4]+ 178.16016 158.0
[M+K]+ 199.08950 142.1
[M+H-H2O]+ 143.12360 131.2
[M+HCOO]- 205.12454 158.2
[M+CH3COO]- 219.14019 181.0
[M+Na-2H]- 181.10101 140.7
[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

No patent data available for this compound.