CID 18944641

1-octadecyl-2-phenoxybenzene

Structural Information

Molecular Formula
C30H46O
SMILES
CCCCCCCCCCCCCCCCCCC1=CC=CC=C1OC2=CC=CC=C2
InChI
InChI=1S/C30H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-23-28-24-21-22-27-30(28)31-29-25-19-17-20-26-29/h17,19-22,24-27H,2-16,18,23H2,1H3
InChIKey
BKMJANZLJDQHPG-UHFFFAOYSA-N
Compound name
1-octadecyl-2-phenoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14
Patents

422.35486 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.36214 215.7
[M+Na]+ 445.34408 216.1
[M-H]- 421.34758 219.0
[M+NH4]+ 440.38868 225.4
[M+K]+ 461.31802 208.8
[M+H-H2O]+ 405.35212 204.9
[M+HCOO]- 467.35306 234.6
[M+CH3COO]- 481.36871 232.6
[M+Na-2H]- 443.32953 214.1
[M]+ 422.35431 221.9
[M]- 422.35541 221.9
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