CID 23572264

4-(trans-4-ethylcyclohexyl)-2,3',4',5'-tetrafluorbiphenyl

Structural Information

Molecular Formula
C20H20F4
SMILES
CCC1CCC(CC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)F)F)F
InChI
InChI=1S/C20H20F4/c1-2-12-3-5-13(6-4-12)14-7-8-16(17(21)9-14)15-10-18(22)20(24)19(23)11-15/h7-13H,2-6H2,1H3
InChIKey
AXHIYBDTRMNUFJ-UHFFFAOYSA-N
Compound name
5-[4-(4-ethylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluorobenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

107
Patents

336.15012 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.15740 178.3
[M+Na]+ 359.13934 186.5
[M-H]- 335.14284 182.6
[M+NH4]+ 354.18394 192.2
[M+K]+ 375.11328 179.2
[M+H-H2O]+ 319.14738 166.0
[M+HCOO]- 381.14832 193.2
[M+CH3COO]- 395.16397 214.6
[M+Na-2H]- 357.12479 175.4
[M]+ 336.14957 170.4
[M]- 336.15067 170.4
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