CID 118121702

3pmeo-2odfp

Structural Information

Molecular Formula
C18H20F2O2
SMILES
CCCC1=CC=C(C=C1)COC2=C(C(=C(C=C2)OCC)F)F
InChI
InChI=1S/C18H20F2O2/c1-3-5-13-6-8-14(9-7-13)12-22-16-11-10-15(21-4-2)17(19)18(16)20/h6-11H,3-5,12H2,1-2H3
InChIKey
IRQMFJOQCZJLJA-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[(4-propylphenyl)methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

306.14313 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.15041 170.3
[M+Na]+ 329.13235 178.9
[M-H]- 305.13585 174.5
[M+NH4]+ 324.17695 185.7
[M+K]+ 345.10629 174.3
[M+H-H2O]+ 289.14039 160.5
[M+HCOO]- 351.14133 191.5
[M+CH3COO]- 365.15698 208.0
[M+Na-2H]- 327.11780 172.0
[M]+ 306.14258 172.9
[M]- 306.14368 172.9
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