CID 18681376

Dtxsid00940492

Structural Information

Molecular Formula
C23H28F2O
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C23H28F2O/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/h10-17H,3-9H2,1-2H3
InChIKey
IBFAIOMGVHPWRQ-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

477
Patents

358.21082 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.21810 188.7
[M+Na]+ 381.20004 194.3
[M-H]- 357.20354 194.8
[M+NH4]+ 376.24464 201.4
[M+K]+ 397.17398 187.9
[M+H-H2O]+ 341.20808 177.3
[M+HCOO]- 403.20902 204.9
[M+CH3COO]- 417.22467 218.9
[M+Na-2H]- 379.18549 186.2
[M]+ 358.21027 185.0
[M]- 358.21137 185.0
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