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]+ 339.26824 187.8
[M+Na]+ 361.25018 193.8
[M-H]- 337.25368 193.7
[M+NH4]+ 356.29478 202.1
[M+K]+ 377.22412 188.2
[M+H-H2O]+ 321.25822 179.1
[M+HCOO]- 383.25916 208.9
[M+CH3COO]- 397.27481 218.5
[M+Na-2H]- 359.23563 187.5
[M]+ 338.26041 193.3
[M]- 338.26151 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.