CID 3061593

Brn 5539680

Structural Information

Molecular Formula

C₁₂H₁₀ClNO₂

SMILES

CC(=O)N1C2=C(C=CC(=C2)Cl)C(=O)C13CC3

InChI

InChI=1S/C12H10ClNO2/c1-7(15)14-10-6-8(13)2-3-9(10)11(16)12(14)4-5-12/h2-3,6H,4-5H2,1H3

InChIKey

SAGXCEFGSNHAOK-UHFFFAOYSA-N

Compound name

1'-acetyl-6'-chlorospiro[cyclopropane-1,2'-indole]-3'-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.04001 Da
Monoisotopic Mass: 1.8
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]+	236.047286	151.8
[M+Na]+	258.029228	165.0
[M-H]-	234.032734	158.4
[M+NH4]+	253.073833	169.8
[M+K]+	274.003168	159.4
[M+H-H2O]+	218.037270	147.0
[M+HCOO]-	280.038211	168.1
[M+CH3COO]-	294.053861	165.1
[M+Na-2H]-	256.014676	155.8
[M]+	235.03946142	157.1
[M]-	235.04055858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.