CID 6455719

Didodecydiphenyl ether

Structural Information

Molecular Formula
C36H58O
SMILES
CC(C)CCCCCCCCCC1=C(C(=CC=C1)OC2=CC=CC=C2)CCCCCCCCCC(C)C
InChI
InChI=1S/C36H58O/c1-31(2)23-16-11-7-5-9-13-18-25-33-26-22-30-36(37-34-27-19-15-20-28-34)35(33)29-21-14-10-6-8-12-17-24-32(3)4/h15,19-20,22,26-28,30-32H,5-14,16-18,21,23-25,29H2,1-4H3
InChIKey
FTELQOSFYGFRNJ-UHFFFAOYSA-N
Compound name
1,2-bis(10-methylundecyl)-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

506.44876 Da
Monoisotopic Mass

15.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 507.45604 243.2
[M+Na]+ 529.43798 241.2
[M-H]- 505.44148 245.7
[M+NH4]+ 524.48258 249.4
[M+K]+ 545.41192 233.6
[M+H-H2O]+ 489.44602 231.7
[M+HCOO]- 551.44696 257.9
[M+CH3COO]- 565.46261 252.5
[M+Na-2H]- 527.42343 235.1
[M]+ 506.44821 250.6
[M]- 506.44931 250.6
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.