CID 112304

Decylphenoxybenzene

Structural Information

Molecular Formula
C22H30O
SMILES
CCCCCCCCCCC1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C22H30O/c1-2-3-4-5-6-7-8-10-13-20-16-18-22(19-17-20)23-21-14-11-9-12-15-21/h9,11-12,14-19H,2-8,10,13H2,1H3
InChIKey
XYKOSYOLKWFCON-UHFFFAOYSA-N
Compound name
1-decyl-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

288
Patents

310.22968 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.23696 179.9
[M+Na]+ 333.21890 183.9
[M-H]- 309.22240 184.9
[M+NH4]+ 328.26350 194.3
[M+K]+ 349.19284 178.5
[M+H-H2O]+ 293.22694 170.9
[M+HCOO]- 355.22788 201.7
[M+CH3COO]- 369.24353 209.2
[M+Na-2H]- 331.20435 182.7
[M]+ 310.22913 183.4
[M]- 310.23023 183.4
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.