CID 43810644

4,6-dichloro-1-(methylamino)-2,3-dihydro-1h-inden-2-ol hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₁Cl₂NO

SMILES

CNC1C(CC2=C1C=C(C=C2Cl)Cl)O

InChI

InChI=1S/C10H11Cl2NO/c1-13-10-7-2-5(11)3-8(12)6(7)4-9(10)14/h2-3,9-10,13-14H,4H2,1H3

InChIKey

ZBQMTJZQSAUXMK-UHFFFAOYSA-N

Compound name

4,6-dichloro-1-(methylamino)-2,3-dihydro-1H-inden-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 231.02177 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]+	232.029046	148.4
[M+Na]+	254.010988	159.3
[M-H]-	230.014494	151.5
[M+NH4]+	249.055593	170.3
[M+K]+	269.984928	152.8
[M+H-H2O]+	214.019030	145.2
[M+HCOO]-	276.019971	161.7
[M+CH3COO]-	290.035621	189.4
[M+Na-2H]-	251.996436	151.4
[M]+	231.02122142	150.1
[M]-	231.02231858	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.