CID 9542

10-fluorodecanoic acid

Structural Information

Molecular Formula
C10H19FO2
SMILES
C(CCCCC(=O)O)CCCCF
InChI
InChI=1S/C10H19FO2/c11-9-7-5-3-1-2-4-6-8-10(12)13/h1-9H2,(H,12,13)
InChIKey
LXJHQFGNWFLQTR-UHFFFAOYSA-N
Compound name
10-fluorodecanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

49
Patents

190.1369 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.14418 145.4
[M+Na]+ 213.12612 150.6
[M-H]- 189.12962 142.2
[M+NH4]+ 208.17072 164.4
[M+K]+ 229.10006 148.8
[M+H-H2O]+ 173.13416 139.4
[M+HCOO]- 235.13510 165.0
[M+CH3COO]- 249.15075 183.2
[M+Na-2H]- 211.11157 148.0
[M]+ 190.13635 146.6
[M]- 190.13745 146.6
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