CID 53487172

473257-15-7

Structural Information

Molecular Formula
C24H36F2O
SMILES
CCCCC1CCC(CC1)C2CCC(CC2)C3=C(C(=C(C=C3)OCC)F)F
InChI
InChI=1S/C24H36F2O/c1-3-5-6-17-7-9-18(10-8-17)19-11-13-20(14-12-19)21-15-16-22(27-4-2)24(26)23(21)25/h15-20H,3-14H2,1-2H3
InChIKey
FDNSXGJAVAUPJG-UHFFFAOYSA-N
Compound name
1-[4-(4-butylcyclohexyl)cyclohexyl]-4-ethoxy-2,3-difluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

150
Patents

378.2734 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.28068 197.4
[M+Na]+ 401.26262 199.5
[M-H]- 377.26612 202.1
[M+NH4]+ 396.30722 209.1
[M+K]+ 417.23656 193.4
[M+H-H2O]+ 361.27066 186.0
[M+HCOO]- 423.27160 208.9
[M+CH3COO]- 437.28725 223.0
[M+Na-2H]- 399.24807 191.3
[M]+ 378.27285 189.7
[M]- 378.27395 189.7
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

No patent data available for this compound.