CID 165341214

Dtxsid401122001

Structural Information

Molecular Formula
C25H36F2
SMILES
CCCCCC1CCC(CC1)C2CCC(CC2)C=CC3=CC(=C(C=C3)F)F
InChI
InChI=1S/C25H36F2/c1-2-3-4-5-19-8-13-22(14-9-19)23-15-10-20(11-16-23)6-7-21-12-17-24(26)25(27)18-21/h6-7,12,17-20,22-23H,2-5,8-11,13-16H2,1H3
InChIKey
CNXWBUUCDRJYKU-UHFFFAOYSA-N
Compound name
1,2-difluoro-4-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.2785 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.28578 197.4
[M+Na]+ 397.26772 198.5
[M-H]- 373.27122 201.5
[M+NH4]+ 392.31232 208.9
[M+K]+ 413.24166 190.9
[M+H-H2O]+ 357.27576 185.7
[M+HCOO]- 419.27670 208.5
[M+CH3COO]- 433.29235 221.3
[M+Na-2H]- 395.25317 191.3
[M]+ 374.27795 187.3
[M]- 374.27905 187.3
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.