CID 11408

583-16-4

Structural Information

Molecular Formula
C12H15FO2
SMILES
C1=CC=C(C=C1)C(=O)OCCCCCF
InChI
InChI=1S/C12H15FO2/c13-9-5-2-6-10-15-12(14)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2
InChIKey
VBUBHKGSNQYAIR-UHFFFAOYSA-N
Compound name
5-fluoropentyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.1056 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.11288 146.4
[M+Na]+ 233.09482 152.7
[M-H]- 209.09832 148.1
[M+NH4]+ 228.13942 165.1
[M+K]+ 249.06876 150.5
[M+H-H2O]+ 193.10286 139.1
[M+HCOO]- 255.10380 168.6
[M+CH3COO]- 269.11945 186.4
[M+Na-2H]- 231.08027 151.2
[M]+ 210.10505 147.8
[M]- 210.10615 147.8
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.