CID 72698791

1403899-01-3

Structural Information

Molecular Formula

C₁₀H₁₀ClN

SMILES

C1CC12CNC3=C2C=CC(=C3)Cl

InChI

InChI=1S/C10H10ClN/c11-7-1-2-8-9(5-7)12-6-10(8)3-4-10/h1-2,5,12H,3-4,6H2

InChIKey

SOCRFVQAUXFCJV-UHFFFAOYSA-N

Compound name

6-chlorospiro[1,2-dihydroindole-3,1'-cyclopropane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 21
Patents: 179.05017 Da
Monoisotopic Mass: 2.9
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]+	180.05745	137.4
[M+Na]+	202.03939	149.2
[M-H]-	178.04289	142.1
[M+NH4]+	197.08399	156.5
[M+K]+	218.01333	143.4
[M+H-H2O]+	162.04743	132.2
[M+HCOO]-	224.04837	153.4
[M+CH3COO]-	238.06402	150.6
[M+Na-2H]-	200.02484	144.4
[M]+	179.04962	138.6
[M]-	179.05072	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe