CID 19103466

2odfpet3chp

Structural Information

Molecular Formula
C25H32F2O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)CCC3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C25H32F2O/c1-3-5-18-6-11-20(12-7-18)21-13-8-19(9-14-21)10-15-22-16-17-23(28-4-2)25(27)24(22)26/h8-9,13-14,16-18,20H,3-7,10-12,15H2,1-2H3
InChIKey
XUGBXHFKYLJXII-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[2-[4-(4-propylcyclohexyl)phenyl]ethyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

386.24213 Da
Monoisotopic Mass

8.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.24941 197.8
[M+Na]+ 409.23135 202.5
[M-H]- 385.23485 203.5
[M+NH4]+ 404.27595 209.4
[M+K]+ 425.20529 195.7
[M+H-H2O]+ 369.23939 186.0
[M+HCOO]- 431.24033 213.3
[M+CH3COO]- 445.25598 224.8
[M+Na-2H]- 407.21680 194.2
[M]+ 386.24158 194.7
[M]- 386.24268 194.7
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