CID 23391186

Mefbzof5p

Structural Information

Molecular Formula
C19H20F2O2
SMILES
CCCCCC1=C(C=C(C=C1)OC(=O)C2=C(C=C(C=C2)C)F)F
InChI
InChI=1S/C19H20F2O2/c1-3-4-5-6-14-8-9-15(12-17(14)20)23-19(22)16-10-7-13(2)11-18(16)21/h7-12H,3-6H2,1-2H3
InChIKey
ZPOIYCGXMWRLRS-UHFFFAOYSA-N
Compound name
(3-fluoro-4-pentylphenyl) 2-fluoro-4-methylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

318.14313 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.15041 173.7
[M+Na]+ 341.13235 182.0
[M-H]- 317.13585 177.9
[M+NH4]+ 336.17695 188.6
[M+K]+ 357.10629 177.1
[M+H-H2O]+ 301.14039 164.0
[M+HCOO]- 363.14133 193.8
[M+CH3COO]- 377.15698 210.4
[M+Na-2H]- 339.11780 173.7
[M]+ 318.14258 175.3
[M]- 318.14368 175.3
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