CID 2774421

128843-61-8

Structural Information

Molecular Formula

C₁₃H₁₀FNO₂

SMILES

CN1C=C(C=C1C=O)C(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C13H10FNO2/c1-15-7-10(6-12(15)8-16)13(17)9-2-4-11(14)5-3-9/h2-8H,1H3

InChIKey

GNMRXQTZWYXHMO-UHFFFAOYSA-N

Compound name

4-(4-fluorobenzoyl)-1-methylpyrrole-2-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 7
Patents: 231.06955 Da
Monoisotopic Mass: 1.9
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]+	232.07683	147.3
[M+Na]+	254.05877	157.3
[M-H]-	230.06227	152.3
[M+NH4]+	249.10337	165.9
[M+K]+	270.03271	153.6
[M+H-H2O]+	214.06681	139.4
[M+HCOO]-	276.06775	170.3
[M+CH3COO]-	290.08340	190.9
[M+Na-2H]-	252.04422	149.5
[M]+	231.06900	148.3
[M]-	231.07010	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe