CID 634081

4,4'-bis(trans-4-propylcyclohexyl)biphenyl

Structural Information

Molecular Formula
C30H42
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4CCC(CC4)CCC
InChI
InChI=1S/C30H42/c1-3-5-23-7-11-25(12-8-23)27-15-19-29(20-16-27)30-21-17-28(18-22-30)26-13-9-24(6-4-2)10-14-26/h15-26H,3-14H2,1-2H3
InChIKey
LUCHFKBTWHPREI-UHFFFAOYSA-N
Compound name
1-(4-propylcyclohexyl)-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

353
Patents

402.32864 Da
Monoisotopic Mass

11.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.33592 206.8
[M+Na]+ 425.31786 206.3
[M-H]- 401.32136 216.0
[M+NH4]+ 420.36246 216.5
[M+K]+ 441.29180 198.7
[M+H-H2O]+ 385.32590 195.0
[M+HCOO]- 447.32684 219.3
[M+CH3COO]- 461.34249 212.7
[M+Na-2H]- 423.30331 201.6
[M]+ 402.32809 198.4
[M]- 402.32919 198.4
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