CID 106417

Dodecyldiphenyl ether

Structural Information

Molecular Formula
C24H34O
SMILES
CC(C)CCCCCCCCCC1=CC(=CC=C1)OC2=CC=CC=C2
InChI
InChI=1S/C24H34O/c1-21(2)14-9-6-4-3-5-7-10-15-22-16-13-19-24(20-22)25-23-17-11-8-12-18-23/h8,11-13,16-21H,3-7,9-10,14-15H2,1-2H3
InChIKey
RSSGZIQBGCIYSM-UHFFFAOYSA-N
Compound name
1-(10-methylundecyl)-3-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.26096 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.26824 189.6
[M+Na]+ 361.25018 192.4
[M-H]- 337.25368 194.3
[M+NH4]+ 356.29478 202.8
[M+K]+ 377.22412 187.0
[M+H-H2O]+ 321.25822 180.3
[M+HCOO]- 383.25916 209.6
[M+CH3COO]- 397.27481 215.8
[M+Na-2H]- 359.23563 190.0
[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

No literature data available for this compound.

Patent stripe

patents stripe