CID 5727275

304896-57-9

Structural Information

Molecular Formula
C19H12ClFO2
SMILES
C1=CC(=CC=C1C2=CC=C(O2)/C=C/C(=O)C3=CC=C(C=C3)F)Cl
InChI
InChI=1S/C19H12ClFO2/c20-15-5-1-14(2-6-15)19-12-10-17(23-19)9-11-18(22)13-3-7-16(21)8-4-13/h1-12H/b11-9+
InChIKey
GJZCPUHEVXINRQ-PKNBQFBNSA-N
Compound name
(E)-3-[5-(4-chlorophenyl)furan-2-yl]-1-(4-fluorophenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.051 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.05828 174.5
[M+Na]+ 349.04022 184.4
[M-H]- 325.04372 184.0
[M+NH4]+ 344.08482 189.8
[M+K]+ 365.01416 178.0
[M+H-H2O]+ 309.04826 166.4
[M+HCOO]- 371.04920 192.6
[M+CH3COO]- 385.06485 186.7
[M+Na-2H]- 347.02567 175.7
[M]+ 326.05045 177.4
[M]- 326.05155 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.