CID 111867

Tetrapropylenephenyl phenyl ether

Structural Information

Molecular Formula
C24H34O
SMILES
CCCC1=CC(=C(C(=C1CCC)OC2=CC=CC=C2)CCC)CCC
InChI
InChI=1S/C24H34O/c1-5-12-19-18-20(13-6-2)23(15-8-4)24(22(19)14-7-3)25-21-16-10-9-11-17-21/h9-11,16-18H,5-8,12-15H2,1-4H3
InChIKey
KAEACMXWFSEKLP-UHFFFAOYSA-N
Compound name
3-phenoxy-1,2,4,5-tetrapropylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.26096 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.268236 187.8
[M+Na]+ 361.250178 193.8
[M-H]- 337.253684 193.7
[M+NH4]+ 356.294783 202.1
[M+K]+ 377.224118 188.2
[M+H-H2O]+ 321.258220 179.1
[M+HCOO]- 383.259161 208.9
[M+CH3COO]- 397.274811 218.5
[M+Na-2H]- 359.235626 187.5
[M]+ 338.26041142 193.3
[M]- 338.26150858 193.3
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

No patent data available for this compound.