CID 112650

4,4'-diacetoxystilbene

Structural Information

Molecular Formula
C18H16O4
SMILES
CC(=O)OC1=CC=C(C=C1)C=CC2=CC=C(C=C2)OC(=O)C
InChI
InChI=1S/C18H16O4/c1-13(19)21-17-9-5-15(6-10-17)3-4-16-7-11-18(12-8-16)22-14(2)20/h3-12H,1-2H3
InChIKey
PJNPBRIHJXMRDS-UHFFFAOYSA-N
Compound name
[4-[2-(4-acetyloxyphenyl)ethenyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

296.10486 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.112136 167.7
[M+Na]+ 319.094078 174.6
[M-H]- 295.097584 174.4
[M+NH4]+ 314.138683 182.7
[M+K]+ 335.068018 171.5
[M+H-H2O]+ 279.102120 159.7
[M+HCOO]- 341.103061 190.2
[M+CH3COO]- 355.118711 201.8
[M+Na-2H]- 317.079526 169.8
[M]+ 296.10431142 171.1
[M]- 296.10540858 171.1
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