CID 20478258

2chf3chb

Structural Information

Molecular Formula
C29H39F
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=C(C=C(C=C3)C4CCC(CC4)CC)F
InChI
InChI=1S/C29H39F/c1-3-5-22-8-12-23(13-9-22)24-14-16-26(17-15-24)28-19-18-27(20-29(28)30)25-10-6-21(4-2)7-11-25/h14-23,25H,3-13H2,1-2H3
InChIKey
IPUJOIJNQUPKIJ-UHFFFAOYSA-N
Compound name
4-(4-ethylcyclohexyl)-2-fluoro-1-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

406.3036 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.31088 206.7
[M+Na]+ 429.29282 207.7
[M-H]- 405.29632 215.1
[M+NH4]+ 424.33742 216.5
[M+K]+ 445.26676 199.8
[M+H-H2O]+ 389.30086 194.2
[M+HCOO]- 451.30180 218.5
[M+CH3COO]- 465.31745 212.7
[M+Na-2H]- 427.27827 200.6
[M]+ 406.30305 197.3
[M]- 406.30415 197.3
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

patents stripe