CID 57598944

Vchche2odfp

Structural Information

Molecular Formula
C22H28F2O
SMILES
CCOC1=C(C(=C(C=C1)C2=CCC(CC2)C3CCC(CC3)C=C)F)F
InChI
InChI=1S/C22H28F2O/c1-3-15-5-7-16(8-6-15)17-9-11-18(12-10-17)19-13-14-20(25-4-2)22(24)21(19)23/h3,11,13-17H,1,4-10,12H2,2H3
InChIKey
DZNUYJRRINGBQB-UHFFFAOYSA-N
Compound name
1-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-4-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

346.21082 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.21810 185.6
[M+Na]+ 369.20004 189.8
[M-H]- 345.20354 191.1
[M+NH4]+ 364.24464 198.6
[M+K]+ 385.17398 183.5
[M+H-H2O]+ 329.20808 174.6
[M+HCOO]- 391.20902 199.4
[M+CH3COO]- 405.22467 216.0
[M+Na-2H]- 367.18549 181.6
[M]+ 346.21027 177.9
[M]- 346.21137 177.9
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