CID 146188881

Meacrftmeacret

Structural Information

Molecular Formula
C28H25FO4
SMILES
CC(=C)C(=O)OCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)OC(=O)C(=C)C)F
InChI
InChI=1S/C28H25FO4/c1-18(2)27(30)32-16-15-20-5-7-22(8-6-20)25-14-11-23(17-26(25)29)21-9-12-24(13-10-21)33-28(31)19(3)4/h5-14,17H,1,3,15-16H2,2,4H3
InChIKey
JKOXJYCYBBYINA-UHFFFAOYSA-N
Compound name
2-[4-[2-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]ethyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

444.17368 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.18096 208.1
[M+Na]+ 467.16290 213.0
[M-H]- 443.16640 215.8
[M+NH4]+ 462.20750 216.3
[M+K]+ 483.13684 207.7
[M+H-H2O]+ 427.17094 196.9
[M+HCOO]- 489.17188 225.2
[M+CH3COO]- 503.18753 234.1
[M+Na-2H]- 465.14835 203.0
[M]+ 444.17313 209.9
[M]- 444.17423 209.9
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