CID 86218798

507484-54-0

Structural Information

Molecular Formula

C₁₂H₅FN₂O

SMILES

C1C(=C(C#N)C#N)C2=C(C1=O)C=CC(=C2)F

InChI

InChI=1S/C12H5FN2O/c13-8-1-2-9-11(3-8)10(4-12(9)16)7(5-14)6-15/h1-3H,4H2

InChIKey

HSXULKAPILMKHA-UHFFFAOYSA-N

Compound name

2-(6-fluoro-3-oxoinden-1-ylidene)propanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
Patents: 212.03859 Da
Monoisotopic Mass: 1.2
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]+	213.04587	159.5
[M+Na]+	235.02781	171.3
[M-H]-	211.03131	162.6
[M+NH4]+	230.07241	173.8
[M+K]+	251.00175	164.1
[M+H-H2O]+	195.03585	144.3
[M+HCOO]-	257.03679	170.8
[M+CH3COO]-	271.05244	217.9
[M+Na-2H]-	233.01326	159.6
[M]+	212.03804	150.2
[M]-	212.03914	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe