CID 11051218

12-phenoxydodecoxybenzene

Structural Information

Molecular Formula
C24H34O2
SMILES
C1=CC=C(C=C1)OCCCCCCCCCCCCOC2=CC=CC=C2
InChI
InChI=1S/C24H34O2/c1(3-5-7-15-21-25-23-17-11-9-12-18-23)2-4-6-8-16-22-26-24-19-13-10-14-20-24/h9-14,17-20H,1-8,15-16,21-22H2
InChIKey
MGDFXJZWAHCAMS-UHFFFAOYSA-N
Compound name
12-phenoxydodecoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

354.2559 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.26318 192.4
[M+Na]+ 377.24512 194.4
[M-H]- 353.24862 196.5
[M+NH4]+ 372.28972 204.6
[M+K]+ 393.21906 189.1
[M+H-H2O]+ 337.25316 182.4
[M+HCOO]- 399.25410 213.6
[M+CH3COO]- 413.26975 215.8
[M+Na-2H]- 375.23057 194.8
[M]+ 354.25535 197.6
[M]- 354.25645 197.6
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