CID 11417199

Benzene, 1-ethoxy-2,3-difluoro-4-[(trans,trans)-4'-propyl[1,1'-bicyclohexyl]-4-yl]-

Structural Information

Molecular Formula
C23H34F2O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C23H34F2O/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/h14-19H,3-13H2,1-2H3
InChIKey
CFJCNWQXOICKIF-UHFFFAOYSA-N
Compound name
1-ethoxy-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

571
Patents

364.25778 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.26506 193.0
[M+Na]+ 387.24700 195.4
[M-H]- 363.25050 197.8
[M+NH4]+ 382.29160 205.2
[M+K]+ 403.22094 189.7
[M+H-H2O]+ 347.25504 181.7
[M+HCOO]- 409.25598 204.8
[M+CH3COO]- 423.27163 220.0
[M+Na-2H]- 385.23245 187.4
[M]+ 364.25723 184.9
[M]- 364.25833 184.9
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