CID 86401

1-dodecyl-4-phenoxybenzene

Structural Information

Molecular Formula
C24H34O
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)OC2=CC=CC=C2
InChI
InChI=1S/C24H34O/c1-2-3-4-5-6-7-8-9-10-12-15-22-18-20-24(21-19-22)25-23-16-13-11-14-17-23/h11,13-14,16-21H,2-10,12,15H2,1H3
InChIKey
XSAHYEQPUFJGKW-UHFFFAOYSA-N
Compound name
1-dodecyl-4-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

338.26096 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.268236 189.0
[M+Na]+ 361.250178 192.1
[M-H]- 337.253684 193.6
[M+NH4]+ 356.294783 202.2
[M+K]+ 377.224118 186.2
[M+H-H2O]+ 321.258220 179.5
[M+HCOO]- 383.259161 210.0
[M+CH3COO]- 397.274811 215.1
[M+Na-2H]- 359.235626 190.7
[M]+ 338.26041142 193.2
[M]- 338.26150858 193.2
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