CID 43152580

1094323-12-2

Structural Information

Molecular Formula

C₁₁H₉FN₂O₃

SMILES

C1=CC2=C(C=C1F)C(=O)C(=O)N2CCC(=O)N

InChI

InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)10(16)11(17)14(8)4-3-9(13)15/h1-2,5H,3-4H2,(H2,13,15)

InChIKey

SQUUPPCSPJWKJH-UHFFFAOYSA-N

Compound name

3-(5-fluoro-2,3-dioxoindol-1-yl)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 236.05972 Da
Monoisotopic Mass: -0.2
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]+	237.06700	147.3
[M+Na]+	259.04894	157.4
[M-H]-	235.05244	149.5
[M+NH4]+	254.09354	166.5
[M+K]+	275.02288	153.9
[M+H-H2O]+	219.05698	140.4
[M+HCOO]-	281.05792	168.6
[M+CH3COO]-	295.07357	194.0
[M+Na-2H]-	257.03439	149.2
[M]+	236.05917	146.9
[M]-	236.06027	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe