CID 634748

[trans(trans)]-4-(4-pentylcyclohexyl)-4'-(4-propylcyclohexyl)biphenyl

Structural Information

Molecular Formula
C32H46
SMILES
CCCCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC
InChI
InChI=1S/C32H46/c1-3-5-6-8-26-11-15-28(16-12-26)30-19-23-32(24-20-30)31-21-17-29(18-22-31)27-13-9-25(7-4-2)10-14-27/h17-28H,3-16H2,1-2H3
InChIKey
PJBOOKMLDPERRS-UHFFFAOYSA-N
Compound name
1-(4-pentylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

401
Patents

430.35995 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.36723 215.4
[M+Na]+ 453.34917 214.0
[M-H]- 429.35267 224.2
[M+NH4]+ 448.39377 223.9
[M+K]+ 469.32311 206.0
[M+H-H2O]+ 413.35721 203.1
[M+HCOO]- 475.35815 227.2
[M+CH3COO]- 489.37380 220.4
[M+Na-2H]- 451.33462 209.1
[M]+ 430.35940 207.6
[M]- 430.36050 207.6
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