CID 14739735

6-(4-fluorophenyl)hexanoic acid

Structural Information

Molecular Formula
C12H15FO2
SMILES
C1=CC(=CC=C1CCCCCC(=O)O)F
InChI
InChI=1S/C12H15FO2/c13-11-8-6-10(7-9-11)4-2-1-3-5-12(14)15/h6-9H,1-5H2,(H,14,15)
InChIKey
CDSLZCNLWIKHJH-UHFFFAOYSA-N
Compound name
6-(4-fluorophenyl)hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

210.1056 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11288 146.1
[M+Na]+ 233.09482 152.7
[M-H]- 209.09832 146.7
[M+NH4]+ 228.13942 164.2
[M+K]+ 249.06876 149.6
[M+H-H2O]+ 193.10286 139.2
[M+HCOO]- 255.10380 166.7
[M+CH3COO]- 269.11945 185.6
[M+Na-2H]- 231.08027 149.6
[M]+ 210.10505 145.9
[M]- 210.10615 145.9
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