CID 11624

12-fluorododecanoic acid

Structural Information

Molecular Formula
C12H23FO2
SMILES
C(CCCCCC(=O)O)CCCCCF
InChI
InChI=1S/C12H23FO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11H2,(H,14,15)
InChIKey
ZEDMVKOURHPQLY-UHFFFAOYSA-N
Compound name
12-fluorododecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

72
Patents

218.16821 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17549 154.6
[M+Na]+ 241.15743 159.0
[M-H]- 217.16093 151.0
[M+NH4]+ 236.20203 172.4
[M+K]+ 257.13137 156.6
[M+H-H2O]+ 201.16547 148.2
[M+HCOO]- 263.16641 173.6
[M+CH3COO]- 277.18206 189.2
[M+Na-2H]- 239.14288 156.1
[M]+ 218.16766 156.6
[M]- 218.16876 156.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe