CID 6478857

Schembl13427730

Structural Information

Molecular Formula
C18H14FNO3
SMILES
C1=CNC(=C1)/C(=C/C(=O)C2=CC=C(O2)CC3=CC=C(C=C3)F)/O
InChI
InChI=1S/C18H14FNO3/c19-13-5-3-12(4-6-13)10-14-7-8-18(23-14)17(22)11-16(21)15-2-1-9-20-15/h1-9,11,20-21H,10H2/b16-11-
InChIKey
CFINZADQLZLKHZ-WJDWOHSUSA-N
Compound name
(Z)-1-[5-[(4-fluorophenyl)methyl]furan-2-yl]-3-hydroxy-3-(1H-pyrrol-2-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

311.09576 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.10304 170.0
[M+Na]+ 334.08498 177.7
[M-H]- 310.08848 176.2
[M+NH4]+ 329.12958 183.7
[M+K]+ 350.05892 173.0
[M+H-H2O]+ 294.09302 161.8
[M+HCOO]- 356.09396 190.1
[M+CH3COO]- 370.10961 198.1
[M+Na-2H]- 332.07043 169.4
[M]+ 311.09521 169.8
[M]- 311.09631 169.8
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