CID 16065773

924296-39-9

Structural Information

Molecular Formula

C₁₃H₃ClN₄O

SMILES

C1=CC2=C(C=C1Cl)C(=O)C3=NC(=C(N=C23)C#N)C#N

InChI

InChI=1S/C13H3ClN4O/c14-6-1-2-7-8(3-6)13(19)12-11(7)17-9(4-15)10(5-16)18-12/h1-3H

InChIKey

BIGPXXAUSQLTQR-UHFFFAOYSA-N

Compound name

7-chloro-9-oxoindeno[1,2-b]pyrazine-2,3-dicarbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 39
Patents: 265.99954 Da
Monoisotopic Mass: 2.0
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]+	267.00682	179.3
[M+Na]+	288.98876	190.3
[M+NH4]+	284.03336	180.3
[M+K]+	304.96270	179.5
[M-H]-	264.99226	169.4
[M+Na-2H]-	286.97421	178.1
[M]+	265.99899	177.1
[M]-	266.00009	177.1

Literature stripe

literature stripe

Patent stripe

patents stripe