CID 85642320

1,1'-[1,13-tridecanediylbis(oxy)]bisbenzene

Structural Information

Molecular Formula
C25H36O2
SMILES
C1=CC=C(C=C1)OCCCCCCCCCCCCCOC2=CC=CC=C2
InChI
InChI=1S/C25H36O2/c1(2-4-6-8-16-22-26-24-18-12-10-13-19-24)3-5-7-9-17-23-27-25-20-14-11-15-21-25/h10-15,18-21H,1-9,16-17,22-23H2
InChIKey
YBKOKZOLSIXILH-UHFFFAOYSA-N
Compound name
13-phenoxytridecoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.27155 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.27883 196.9
[M+Na]+ 391.26077 198.4
[M-H]- 367.26427 200.8
[M+NH4]+ 386.30537 208.4
[M+K]+ 407.23471 192.9
[M+H-H2O]+ 351.26881 186.7
[M+HCOO]- 413.26975 217.8
[M+CH3COO]- 427.28540 218.8
[M+Na-2H]- 389.24622 198.7
[M]+ 368.27100 202.4
[M]- 368.27210 202.4
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

No patent data available for this compound.