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

479
Patents

430.35995 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.367226 215.4
[M+Na]+ 453.349168 214.0
[M-H]- 429.352674 224.2
[M+NH4]+ 448.393773 223.9
[M+K]+ 469.323108 206.0
[M+H-H2O]+ 413.357210 203.1
[M+HCOO]- 475.358151 227.2
[M+CH3COO]- 489.373801 220.4
[M+Na-2H]- 451.334616 209.1
[M]+ 430.35940142 207.6
[M]- 430.36049858 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