CID 68044

11-fluoroundecanoic acid

Structural Information

Molecular Formula
C11H21FO2
SMILES
C(CCCCCF)CCCCC(=O)O
InChI
InChI=1S/C11H21FO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10H2,(H,13,14)
InChIKey
DDQFXHFWYQQUSR-UHFFFAOYSA-N
Compound name
11-fluoroundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

204.15256 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15984 150.0
[M+Na]+ 227.14178 154.8
[M-H]- 203.14528 146.6
[M+NH4]+ 222.18638 168.4
[M+K]+ 243.11572 152.7
[M+H-H2O]+ 187.14982 143.8
[M+HCOO]- 249.15076 169.3
[M+CH3COO]- 263.16641 186.2
[M+Na-2H]- 225.12723 152.0
[M]+ 204.15201 151.6
[M]- 204.15311 151.6
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