CID 118636869

Pechmeo-2odfp

Structural Information

Molecular Formula
C18H24F2O2
SMILES
CCOC1=C(C(=C(C=C1)OCC2CCC(CC2)/C=C/C)F)F
InChI
InChI=1S/C18H24F2O2/c1-3-5-13-6-8-14(9-7-13)12-22-16-11-10-15(21-4-2)17(19)18(16)20/h3,5,10-11,13-14H,4,6-9,12H2,1-2H3/b5-3+
InChIKey
PDOVBROMFYMFEL-HWKANZROSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[[4-[(E)-prop-1-enyl]cyclohexyl]methoxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

310.17444 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.181716 173.5
[M+Na]+ 333.163658 179.4
[M-H]- 309.167164 176.6
[M+NH4]+ 328.208263 188.5
[M+K]+ 349.137598 174.8
[M+H-H2O]+ 293.171700 163.9
[M+HCOO]- 355.172641 190.6
[M+CH3COO]- 369.188291 207.6
[M+Na-2H]- 331.149106 172.3
[M]+ 310.17389142 171.0
[M]- 310.17498858 171.0
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