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]+ 311.236956 179.9
[M+Na]+ 333.218898 183.9
[M-H]- 309.222404 184.9
[M+NH4]+ 328.263503 194.3
[M+K]+ 349.192838 178.5
[M+H-H2O]+ 293.226940 170.9
[M+HCOO]- 355.227881 201.7
[M+CH3COO]- 369.243531 209.2
[M+Na-2H]- 331.204346 182.7
[M]+ 310.22913142 183.4
[M]- 310.23022858 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

literature stripe

Patent stripe

patents stripe