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

655
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 212.7
[M+Na]+ 481.17855 217.1
[M-H]- 457.18205 220.2
[M+NH4]+ 476.22315 220.3
[M+K]+ 497.15249 211.6
[M+H-H2O]+ 441.18659 201.3
[M+HCOO]- 503.18753 229.5
[M+CH3COO]- 517.20318 237.0
[M+Na-2H]- 479.16400 207.1
[M]+ 458.18878 214.8
[M]- 458.18988 214.8
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