CID 58078015

1299463-48-1

Structural Information

Molecular Formula
C29H27FO4
SMILES
CC(=C)C(=O)OCCCC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)OC(=O)C(=C)C)F
InChI
InChI=1S/C29H27FO4/c1-19(2)28(31)33-17-5-6-21-7-9-22(10-8-21)24-13-16-26(27(30)18-24)23-11-14-25(15-12-23)34-29(32)20(3)4/h7-16,18H,1,3,5-6,17H2,2,4H3
InChIKey
HYNGRHCOGGZKCQ-UHFFFAOYSA-N
Compound name
3-[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl]propyl 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

638
Patents

458.18933 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.19661 214.2
[M+Na]+ 481.17855 227.1
[M+NH4]+ 476.22315 218.7
[M+K]+ 497.15249 219.3
[M-H]- 457.18205 217.5
[M+Na-2H]- 479.16400 220.7
[M]+ 458.18878 216.8
[M]- 458.18988 216.8
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