CID 7130799

118306-97-1

Structural Information

Molecular Formula

C₁₁H₁₀ClNO₂

SMILES

CN1C(=O)CC2=C1C=CC(=C2)C(=O)CCl

InChI

InChI=1S/C11H10ClNO2/c1-13-9-3-2-7(10(14)6-12)4-8(9)5-11(13)15/h2-4H,5-6H2,1H3

InChIKey

RRFQHTVONYSCEQ-UHFFFAOYSA-N

Compound name

5-(2-chloroacetyl)-1-methyl-3H-indol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 32
Patents: 223.04001 Da
Monoisotopic Mass: 1.3
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]+	224.04729	145.9
[M+Na]+	246.02923	156.6
[M-H]-	222.03273	149.5
[M+NH4]+	241.07383	167.0
[M+K]+	262.00317	152.1
[M+H-H2O]+	206.03727	140.7
[M+HCOO]-	268.03821	162.9
[M+CH3COO]-	282.05386	188.1
[M+Na-2H]-	244.01468	148.9
[M]+	223.03946	149.1
[M]-	223.04056	149.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe