CID 112326

Nonylbiphenyl

Structural Information

Molecular Formula
C21H28
SMILES
CCCCCCCCCC1=CC=C(C=C1)C2=CC=CC=C2
InChI
InChI=1S/C21H28/c1-2-3-4-5-6-7-9-12-19-15-17-21(18-16-19)20-13-10-8-11-14-20/h8,10-11,13-18H,2-7,9,12H2,1H3
InChIKey
XMYSGVNXYKACMA-UHFFFAOYSA-N
Compound name
1-nonyl-4-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

280.2191 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.22638 171.5
[M+Na]+ 303.20832 176.1
[M-H]- 279.21182 176.8
[M+NH4]+ 298.25292 187.4
[M+K]+ 319.18226 170.4
[M+H-H2O]+ 263.21636 163.1
[M+HCOO]- 325.21730 193.5
[M+CH3COO]- 339.23295 204.3
[M+Na-2H]- 301.19377 175.0
[M]+ 280.21855 173.4
[M]- 280.21965 173.4
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