CID 118634228

2dx3odfb

Structural Information

Molecular Formula
C23H26F2O3
SMILES
CCCOC1=C(C(=C(C=C1)C2=CC=C(C=C2)C34CCC(CO3)(CO4)CC)F)F
InChI
InChI=1S/C23H26F2O3/c1-3-13-26-19-10-9-18(20(24)21(19)25)16-5-7-17(8-6-16)23-12-11-22(4-2,14-27-23)15-28-23/h5-10H,3-4,11-15H2,1-2H3
InChIKey
AVCGHVMYEDHVIK-UHFFFAOYSA-N
Compound name
1-[4-(2,3-difluoro-4-propoxyphenyl)phenyl]-4-ethyl-2,6-dioxabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

388.185 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.19228 192.6
[M+Na]+ 411.17422 198.5
[M-H]- 387.17772 194.2
[M+NH4]+ 406.21882 209.6
[M+K]+ 427.14816 195.6
[M+H-H2O]+ 371.18226 180.4
[M+HCOO]- 433.18320 199.0
[M+CH3COO]- 447.19885 200.3
[M+Na-2H]- 409.15967 200.2
[M]+ 388.18445 196.0
[M]- 388.18555 196.0
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