CID 120255

9-fluorononanoic acid

Structural Information

Molecular Formula
C9H17FO2
SMILES
C(CCCCF)CCCC(=O)O
InChI
InChI=1S/C9H17FO2/c10-8-6-4-2-1-3-5-7-9(11)12/h1-8H2,(H,11,12)
InChIKey
LFGWNMGUNIZIND-UHFFFAOYSA-N
Compound name
9-fluorononanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

176.12126 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12854 140.8
[M+Na]+ 199.11048 146.4
[M-H]- 175.11398 137.7
[M+NH4]+ 194.15508 160.3
[M+K]+ 215.08442 144.8
[M+H-H2O]+ 159.11852 135.0
[M+HCOO]- 221.11946 160.7
[M+CH3COO]- 235.13511 180.1
[M+Na-2H]- 197.09593 143.9
[M]+ 176.12071 141.6
[M]- 176.12181 141.6
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