CID 15389837

2,3',4',5'-tetrafluoro-4-(4'-propyl-[1,1'-bi(cyclohexan)]-4-yl)-1,1'-biphenyl

Structural Information

Molecular Formula
C27H32F4
SMILES
CCCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C=C3)C4=CC(=C(C(=C4)F)F)F)F
InChI
InChI=1S/C27H32F4/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23(24(28)14-21)22-15-25(29)27(31)26(30)16-22/h12-20H,2-11H2,1H3
InChIKey
RHJZNALCKPDGPQ-UHFFFAOYSA-N
Compound name
1,2,3-trifluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

140
Patents

432.24402 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.25130 210.2
[M+Na]+ 455.23324 214.3
[M-H]- 431.23674 215.7
[M+NH4]+ 450.27784 219.4
[M+K]+ 471.20718 205.4
[M+H-H2O]+ 415.24128 195.5
[M+HCOO]- 477.24222 219.4
[M+CH3COO]- 491.25787 215.9
[M+Na-2H]- 453.21869 201.7
[M]+ 432.24347 198.0
[M]- 432.24457 198.0
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