CID 20263481

4chfb

Structural Information

Molecular Formula
C22H27F
SMILES
CCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C22H27F/c1-2-3-4-17-5-7-18(8-6-17)19-9-11-20(12-10-19)21-13-15-22(23)16-14-21/h9-18H,2-8H2,1H3
InChIKey
BDFXJFBABGHUDQ-UHFFFAOYSA-N
Compound name
1-(4-butylcyclohexyl)-4-(4-fluorophenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

56
Patents

310.2097 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.21698 177.0
[M+Na]+ 333.19892 181.2
[M-H]- 309.20242 183.9
[M+NH4]+ 328.24352 191.3
[M+K]+ 349.17286 174.8
[M+H-H2O]+ 293.20696 166.8
[M+HCOO]- 355.20790 194.5
[M+CH3COO]- 369.22355 208.9
[M+Na-2H]- 331.18437 177.2
[M]+ 310.20915 171.8
[M]- 310.21025 171.8
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