CID 5908195

Nsc636424

Structural Information

Molecular Formula
C18H15FO3
SMILES
CCOC(=O)/C(=C\C1=CC=C(C=C1)F)/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H15FO3/c1-2-22-18(21)16(12-13-8-10-15(19)11-9-13)17(20)14-6-4-3-5-7-14/h3-12H,2H2,1H3/b16-12-
InChIKey
HDZBCWFTFWWBRB-VBKFSLOCSA-N
Compound name
ethyl (Z)-2-benzoyl-3-(4-fluorophenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.10052 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10780 168.1
[M+Na]+ 321.08974 173.9
[M-H]- 297.09324 173.0
[M+NH4]+ 316.13434 182.5
[M+K]+ 337.06368 170.0
[M+H-H2O]+ 281.09778 159.2
[M+HCOO]- 343.09872 188.2
[M+CH3COO]- 357.11437 202.7
[M+Na-2H]- 319.07519 169.0
[M]+ 298.09997 168.0
[M]- 298.10107 168.0
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

No patent data available for this compound.