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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	312.103036	170.0
[M+Na]+	334.084978	177.7
[M-H]-	310.088484	176.2
[M+NH4]+	329.129583	183.7
[M+K]+	350.058918	173.0
[M+H-H2O]+	294.093020	161.8
[M+HCOO]-	356.093961	190.1
[M+CH3COO]-	370.109611	198.1
[M+Na-2H]-	332.070426	169.4
[M]+	311.09521142	169.8
[M]-	311.09630858	169.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe