CID 2724917

111195-33-6

Structural Information

Molecular Formula
C24H40O3
SMILES
CCCCCCCCOC1=C(C=C(C=C1)C(=O)C)OCCCCCCCC
InChI
InChI=1S/C24H40O3/c1-4-6-8-10-12-14-18-26-23-17-16-22(21(3)25)20-24(23)27-19-15-13-11-9-7-5-2/h16-17,20H,4-15,18-19H2,1-3H3
InChIKey
RCCOBAWJEWCPAR-UHFFFAOYSA-N
Compound name
1-(3,4-dioctoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

376.29776 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30504 200.5
[M+Na]+ 399.28698 203.1
[M-H]- 375.29048 201.9
[M+NH4]+ 394.33158 212.8
[M+K]+ 415.26092 199.1
[M+H-H2O]+ 359.29502 191.9
[M+HCOO]- 421.29596 219.8
[M+CH3COO]- 435.31161 224.4
[M+Na-2H]- 397.27243 197.9
[M]+ 376.29721 209.6
[M]- 376.29831 209.6
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

patents stripe