CID 119782

Cyclohexyl-1,1'-biphenyl

Structural Information

Molecular Formula
C18H20
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H20/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h1,3-4,7-8,11-14,16H,2,5-6,9-10H2
InChIKey
BSHSCWRTJSBWLY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

511
Patents

236.1565 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.163776 155.4
[M+Na]+ 259.145718 159.5
[M-H]- 235.149224 163.8
[M+NH4]+ 254.190323 172.2
[M+K]+ 275.119658 154.5
[M+H-H2O]+ 219.153760 146.8
[M+HCOO]- 281.154701 175.5
[M+CH3COO]- 295.170351 166.6
[M+Na-2H]- 257.131166 160.0
[M]+ 236.15595142 149.1
[M]- 236.15704858 149.1
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