CID 70664

1,4-dicyclohexylbenzene

Structural Information

Molecular Formula
C18H26
SMILES
C1CCC(CC1)C2=CC=C(C=C2)C3CCCCC3
InChI
InChI=1S/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h11-16H,1-10H2
InChIKey
QQFSIGWYINAJOB-UHFFFAOYSA-N
Compound name
1,4-dicyclohexylbenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2470
Patents

242.20345 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.21073 160.0
[M+Na]+ 265.19267 160.8
[M-H]- 241.19617 167.2
[M+NH4]+ 260.23727 176.2
[M+K]+ 281.16661 156.5
[M+H-H2O]+ 225.20071 151.2
[M+HCOO]- 287.20165 175.6
[M+CH3COO]- 301.21730 169.4
[M+Na-2H]- 263.17812 161.3
[M]+ 242.20290 149.3
[M]- 242.20400 149.3
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