CID 58986

9-(2,2,3,3-tetrafluorocyclobutyl)nonanoic acid

Structural Information

Molecular Formula
C13H20F4O2
SMILES
C1C(C(C1(F)F)(F)F)CCCCCCCCC(=O)O
InChI
InChI=1S/C13H20F4O2/c14-12(15)9-10(13(12,16)17)7-5-3-1-2-4-6-8-11(18)19/h10H,1-9H2,(H,18,19)
InChIKey
GKFLZUYVNKICDO-UHFFFAOYSA-N
Compound name
9-(2,2,3,3-tetrafluorocyclobutyl)nonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.13995 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.14723 166.3
[M+Na]+ 307.12917 172.2
[M-H]- 283.13267 163.2
[M+NH4]+ 302.17377 179.1
[M+K]+ 323.10311 171.4
[M+H-H2O]+ 267.13721 155.1
[M+HCOO]- 329.13815 179.9
[M+CH3COO]- 343.15380 202.8
[M+Na-2H]- 305.11462 166.0
[M]+ 284.13940 172.0
[M]- 284.14050 172.0
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.