CID 117713263

2bchtefb

Structural Information

Molecular Formula
C26H30F4
SMILES
CCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F
InChI
InChI=1S/C26H30F4/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-22(23(27)13-20)21-14-24(28)26(30)25(29)15-21/h11-19H,2-10H2,1H3
InChIKey
ZCRFBGIHCDYEJS-UHFFFAOYSA-N
Compound name
5-[4-[4-(4-ethylcyclohexyl)cyclohexyl]-2-fluorophenyl]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

418.22836 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.23564 205.8
[M+Na]+ 441.21758 210.3
[M-H]- 417.22108 211.4
[M+NH4]+ 436.26218 215.5
[M+K]+ 457.19152 201.7
[M+H-H2O]+ 401.22562 191.3
[M+HCOO]- 463.22656 215.3
[M+CH3COO]- 477.24221 211.9
[M+Na-2H]- 439.20303 197.8
[M]+ 418.22781 193.2
[M]- 418.22891 193.2
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

patents stripe