CID 606477

1,1'-biphenyl, 4-ethyl-4'-(4-propylcyclohexyl)-, trans-

Structural Information

Molecular Formula
C23H30
SMILES
CCCC1CCC(CC1)C2=CC=C(C=C2)C3=CC=C(C=C3)CC
InChI
InChI=1S/C23H30/c1-3-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(4-2)7-11-20/h6-7,10-11,14-17,19,21H,3-5,8-9,12-13H2,1-2H3
InChIKey
DOALOUQODWWGEZ-UHFFFAOYSA-N
Compound name
1-ethyl-4-[4-(4-propylcyclohexyl)phenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

382
Patents

306.23474 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.24202 177.9
[M+Na]+ 329.22396 181.6
[M-H]- 305.22746 186.0
[M+NH4]+ 324.26856 192.4
[M+K]+ 345.19790 175.5
[M+H-H2O]+ 289.23200 168.5
[M+HCOO]- 351.23294 196.1
[M+CH3COO]- 365.24859 209.3
[M+Na-2H]- 327.20941 178.2
[M]+ 306.23419 174.0
[M]- 306.23529 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe