CID 10011

8-fluoro-3-methyloctanoic acid

Structural Information

Molecular Formula
C9H17FO2
SMILES
CC(CCCCCF)CC(=O)O
InChI
InChI=1S/C9H17FO2/c1-8(7-9(11)12)5-3-2-4-6-10/h8H,2-7H2,1H3,(H,11,12)
InChIKey
CMZDDIWNZWUROZ-UHFFFAOYSA-N
Compound name
8-fluoro-3-methyloctanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.12126 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.12854 141.2
[M+Na]+ 199.11048 146.6
[M-H]- 175.11398 138.3
[M+NH4]+ 194.15508 160.7
[M+K]+ 215.08442 145.5
[M+H-H2O]+ 159.11852 135.5
[M+HCOO]- 221.11946 160.2
[M+CH3COO]- 235.13511 181.0
[M+Na-2H]- 197.09593 143.0
[M]+ 176.12071 141.4
[M]- 176.12181 141.4
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.