CID 71343858

1,11-diphenoxyundecane

Structural Information

Molecular Formula
C23H32O2
SMILES
C1=CC=C(C=C1)OCCCCCCCCCCCOC2=CC=CC=C2
InChI
InChI=1S/C23H32O2/c1(2-4-6-14-20-24-22-16-10-8-11-17-22)3-5-7-15-21-25-23-18-12-9-13-19-23/h8-13,16-19H,1-7,14-15,20-21H2
InChIKey
ZPWUBAJYGXZRQA-UHFFFAOYSA-N
Compound name
11-phenoxyundecoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

340.24023 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.247506 187.9
[M+Na]+ 363.229448 190.4
[M-H]- 339.232954 192.3
[M+NH4]+ 358.274053 200.7
[M+K]+ 379.203388 185.3
[M+H-H2O]+ 323.237490 178.2
[M+HCOO]- 385.238431 209.5
[M+CH3COO]- 399.254081 212.9
[M+Na-2H]- 361.214896 190.8
[M]+ 340.23968142 192.8
[M]- 340.24077858 192.8
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