CID 59203781

Vchmeo-2odfp

Structural Information

Molecular Formula
C17H22F2O2
SMILES
CCOC1=C(C(=C(C=C1)OCC2CCC(CC2)C=C)F)F
InChI
InChI=1S/C17H22F2O2/c1-3-12-5-7-13(8-6-12)11-21-15-10-9-14(20-4-2)16(18)17(15)19/h3,9-10,12-13H,1,4-8,11H2,2H3
InChIKey
UCWNZRHRUIUPBG-UHFFFAOYSA-N
Compound name
1-[(4-ethenylcyclohexyl)methoxy]-4-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

296.15878 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.16606 168.6
[M+Na]+ 319.14800 174.9
[M-H]- 295.15150 171.9
[M+NH4]+ 314.19260 184.2
[M+K]+ 335.12194 170.5
[M+H-H2O]+ 279.15604 159.3
[M+HCOO]- 341.15698 186.1
[M+CH3COO]- 355.17263 205.3
[M+Na-2H]- 317.13345 168.0
[M]+ 296.15823 165.9
[M]- 296.15933 165.9
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