CID 108941

60434-13-1

Structural Information

Molecular Formula

C₉H₆ClNO₂

SMILES

CN1C2=C(C=C(C=C2)Cl)C(=O)C1=O

InChI

InChI=1S/C9H6ClNO2/c1-11-7-3-2-5(10)4-6(7)8(12)9(11)13/h2-4H,1H3

InChIKey

NJOPQQPDPYWFFA-UHFFFAOYSA-N

Compound name

5-chloro-1-methylindole-2,3-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 57
Patents: 195.00871 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]+	196.01599	135.6
[M+Na]+	217.99793	149.9
[M+NH4]+	213.04253	144.6
[M+K]+	233.97187	144.8
[M-H]-	194.00143	137.0
[M+Na-2H]-	215.98338	140.8
[M]+	195.00816	138.2
[M]-	195.00926	138.2

Literature stripe

literature stripe

Patent stripe

patents stripe