CID 18417939

Dodecylphenoxybenzene

Structural Information

Molecular Formula
C24H34O
SMILES
CCCCCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2
InChI
InChI=1S/C24H34O/c1-2-3-4-5-6-7-8-9-10-12-17-22-18-15-16-21-24(22)25-23-19-13-11-14-20-23/h11,13-16,18-21H,2-10,12,17H2,1H3
InChIKey
LGNQGTFARHLQFB-UHFFFAOYSA-N
Compound name
1-dodecyl-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3541
Patents

338.26096 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.26824 189.0
[M+Na]+ 361.25018 192.1
[M-H]- 337.25368 193.6
[M+NH4]+ 356.29478 202.2
[M+K]+ 377.22412 186.2
[M+H-H2O]+ 321.25822 179.5
[M+HCOO]- 383.25916 210.0
[M+CH3COO]- 397.27481 215.1
[M+Na-2H]- 359.23563 190.7
[M]+ 338.26041 193.2
[M]- 338.26151 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