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

42
Patents

310.17444 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18172 173.5
[M+Na]+ 333.16366 179.4
[M-H]- 309.16716 176.6
[M+NH4]+ 328.20826 188.5
[M+K]+ 349.13760 174.8
[M+H-H2O]+ 293.17170 163.9
[M+HCOO]- 355.17264 190.6
[M+CH3COO]- 369.18829 207.6
[M+Na-2H]- 331.14911 172.3
[M]+ 310.17389 171.0
[M]- 310.17499 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