CID 13650931

5bzofp

Structural Information

Molecular Formula
C18H19FO2
SMILES
CCCCCC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C18H19FO2/c1-2-3-4-5-14-6-8-15(9-7-14)18(20)21-17-12-10-16(19)11-13-17/h6-13H,2-5H2,1H3
InChIKey
BGVJTOXQEUZWHJ-UHFFFAOYSA-N
Compound name
(4-fluorophenyl) 4-pentylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

286.1369 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.14418 166.9
[M+Na]+ 309.12612 173.7
[M-H]- 285.12962 172.0
[M+NH4]+ 304.17072 182.5
[M+K]+ 325.10006 169.4
[M+H-H2O]+ 269.13416 158.0
[M+HCOO]- 331.13510 188.5
[M+CH3COO]- 345.15075 202.3
[M+Na-2H]- 307.11157 169.5
[M]+ 286.13635 168.5
[M]- 286.13745 168.5
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