CID 110188

4-(hexyloxy)-4'-pentyl-1,1'-biphenyl

Structural Information

Molecular Formula
C23H32O
SMILES
CCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCCCC
InChI
InChI=1S/C23H32O/c1-3-5-7-9-19-24-23-17-15-22(16-18-23)21-13-11-20(12-14-21)10-8-6-4-2/h11-18H,3-10,19H2,1-2H3
InChIKey
MUNIEHKBAUCEJL-UHFFFAOYSA-N
Compound name
1-hexoxy-4-(4-pentylphenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

324.24533 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.25261 184.2
[M+Na]+ 347.23455 188.7
[M-H]- 323.23805 189.4
[M+NH4]+ 342.27915 198.4
[M+K]+ 363.20849 183.1
[M+H-H2O]+ 307.24259 175.2
[M+HCOO]- 369.24353 205.6
[M+CH3COO]- 383.25918 213.2
[M+Na-2H]- 345.22000 185.7
[M]+ 324.24478 188.5
[M]- 324.24588 188.5
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