CID 20751938

164917-82-2

Structural Information

Molecular Formula
C26H21FO4
SMILES
CC(=C)C(=O)OC1=CC=C(C=C1)C2=CC(=C(C=C2)C3=CC=C(C=C3)OC(=O)C(=C)C)F
InChI
InChI=1S/C26H21FO4/c1-16(2)25(28)30-21-10-5-18(6-11-21)20-9-14-23(24(27)15-20)19-7-12-22(13-8-19)31-26(29)17(3)4/h5-15H,1,3H2,2,4H3
InChIKey
QMZWQOSUOMNGCF-UHFFFAOYSA-N
Compound name
[4-[3-fluoro-4-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]phenyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

498
Patents

416.1424 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.14968 198.8
[M+Na]+ 439.13162 204.6
[M-H]- 415.13512 206.9
[M+NH4]+ 434.17622 208.2
[M+K]+ 455.10556 199.7
[M+H-H2O]+ 399.13966 188.0
[M+HCOO]- 461.14060 216.7
[M+CH3COO]- 475.15625 228.4
[M+Na-2H]- 437.11707 194.8
[M]+ 416.14185 200.0
[M]- 416.14295 200.0
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