CID 142297543

3che2odfb

Structural Information

Molecular Formula
C23H26F2O
SMILES
CCCC1CCC(=CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C23H26F2O/c1-3-5-16-6-8-17(9-7-16)18-10-12-19(13-11-18)20-14-15-21(26-4-2)23(25)22(20)24/h8,10-16H,3-7,9H2,1-2H3
InChIKey
DBBIGBKYTWVONV-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.19516 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.20244 187.4
[M+Na]+ 379.18438 194.1
[M-H]- 355.18788 193.9
[M+NH4]+ 374.22898 200.3
[M+K]+ 395.15832 187.5
[M+H-H2O]+ 339.19242 176.1
[M+HCOO]- 401.19336 205.1
[M+CH3COO]- 415.20901 218.5
[M+Na-2H]- 377.16983 185.9
[M]+ 356.19461 185.2
[M]- 356.19571 185.2
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

No patent data available for this compound.