CID 112306

Einecs 274-142-9

Structural Information

Molecular Formula
C36H58O
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)OC2=CC=CC(=C2)CCCCCCCCCCCC
InChI
InChI=1S/C36H58O/c1-3-5-7-9-11-13-15-17-19-21-24-33-28-30-35(31-29-33)37-36-27-23-26-34(32-36)25-22-20-18-16-14-12-10-8-6-4-2/h23,26-32H,3-22,24-25H2,1-2H3
InChIKey
VWRMINGDVTUYIY-UHFFFAOYSA-N
Compound name
1-dodecyl-3-(4-dodecylphenoxy)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

506.44876 Da
Monoisotopic Mass

15.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.45604 241.8
[M+Na]+ 529.43798 240.3
[M-H]- 505.44148 244.0
[M+NH4]+ 524.48258 248.1
[M+K]+ 545.41192 231.7
[M+H-H2O]+ 489.44602 229.8
[M+HCOO]- 551.44696 258.4
[M+CH3COO]- 565.46261 251.0
[M+Na-2H]- 527.42343 236.1
[M]+ 506.44821 250.4
[M]- 506.44931 250.4
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.