CID 102445

11-fluoro-3-methylundecanoic acid

Structural Information

Molecular Formula
C12H23FO2
SMILES
CC(CCCCCCCCF)CC(=O)O
InChI
InChI=1S/C12H23FO2/c1-11(10-12(14)15)8-6-4-2-3-5-7-9-13/h11H,2-10H2,1H3,(H,14,15)
InChIKey
BGBAWZHPUAYDOO-UHFFFAOYSA-N
Compound name
11-fluoro-3-methylundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16821 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17549 155.2
[M+Na]+ 241.15743 159.3
[M-H]- 217.16093 151.7
[M+NH4]+ 236.20203 172.9
[M+K]+ 257.13137 157.4
[M+H-H2O]+ 201.16547 148.9
[M+HCOO]- 263.16641 173.1
[M+CH3COO]- 277.18206 190.0
[M+Na-2H]- 239.14288 155.4
[M]+ 218.16766 156.5
[M]- 218.16876 156.5
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.