CID 386899

Nsc679798

Structural Information

Molecular Formula

C₁₃H₉ClNO

SMILES

C1=CC=[N+]2C(=C1)C=C(C3=C2C=C(C=C3)Cl)O

InChI

InChI=1S/C13H8ClNO/c14-9-4-5-11-12(7-9)15-6-2-1-3-10(15)8-13(11)16/h1-8H/p+1

InChIKey

YDUKTMBOBFQXDO-UHFFFAOYSA-O

Compound name

9-chlorobenzo[c]quinolizin-11-ium-6-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 230.03726 Da
Monoisotopic Mass: 4.4
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]+	231.04454	146.3
[M+Na]+	253.02648	158.5
[M-H]-	229.02998	150.1
[M+NH4]+	248.07108	165.5
[M+K]+	269.00042	146.6
[M+H-H2O]+	213.03452	142.9
[M+HCOO]-	275.03546	163.0
[M+CH3COO]-	289.05111	181.1
[M+Na-2H]-	251.01193	158.7
[M]+	230.03671	148.9
[M]-	230.03781	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe