CID 438231

21814-48-2

Structural Information

Molecular Formula

C₁₄H₉ClN₂O₄

SMILES

COC1=CC2=C(C=C1)NC3=C(C=CC(=C3C2=O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H9ClN2O4/c1-21-7-2-4-10-8(6-7)14(18)12-9(15)3-5-11(17(19)20)13(12)16-10/h2-6H,1H3,(H,16,18)

InChIKey

WUQQKUISNKRKFK-UHFFFAOYSA-N

Compound name

1-chloro-7-methoxy-4-nitro-10H-acridin-9-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 40
Patents: 304.0251 Da
Monoisotopic Mass: 3.4
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]+	305.032376	161.1
[M+Na]+	327.014318	172.4
[M-H]-	303.017824	164.9
[M+NH4]+	322.058923	176.5
[M+K]+	342.988258	162.7
[M+H-H2O]+	287.022360	158.9
[M+HCOO]-	349.023301	178.8
[M+CH3COO]-	363.038951	195.8
[M+Na-2H]-	324.999766	170.8
[M]+	304.02455142	165.4
[M]-	304.02564858	165.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe