CID 23391183

2obzodf3p

Structural Information

Molecular Formula
C18H18F2O3
SMILES
CCCC1=C(C=C(C=C1F)OC(=O)C2=CC=C(C=C2)OCC)F
InChI
InChI=1S/C18H18F2O3/c1-3-5-15-16(19)10-14(11-17(15)20)23-18(21)12-6-8-13(9-7-12)22-4-2/h6-11H,3-5H2,1-2H3
InChIKey
IXDMNPJBTCXLHZ-UHFFFAOYSA-N
Compound name
(3,5-difluoro-4-propylphenyl) 4-ethoxybenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

320.1224 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.12968 172.4
[M+Na]+ 343.11162 180.9
[M-H]- 319.11512 176.8
[M+NH4]+ 338.15622 187.1
[M+K]+ 359.08556 176.9
[M+H-H2O]+ 303.11966 162.6
[M+HCOO]- 365.12060 193.0
[M+CH3COO]- 379.13625 209.5
[M+Na-2H]- 341.09707 172.9
[M]+ 320.12185 175.1
[M]- 320.12295 175.1
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