CID 3078431

Brn 3594487

Structural Information

Molecular Formula
C14H9ClN2O3
SMILES
CN1C2=CC=CC=C2C(=O)C3=C(C=CC(=C31)Cl)[N+](=O)[O-]
InChI
InChI=1S/C14H9ClN2O3/c1-16-10-5-3-2-4-8(10)14(18)12-11(17(19)20)7-6-9(15)13(12)16/h2-7H,1H3
InChIKey
BKHLXWCTRYUPRX-UHFFFAOYSA-N
Compound name
4-chloro-10-methyl-1-nitroacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.03018 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.03746 158.6
[M+Na]+ 311.01940 170.7
[M-H]- 287.02290 163.8
[M+NH4]+ 306.06400 175.6
[M+K]+ 326.99334 161.1
[M+H-H2O]+ 271.02744 156.3
[M+HCOO]- 333.02838 177.7
[M+CH3COO]- 347.04403 196.3
[M+Na-2H]- 309.00485 168.5
[M]+ 288.02963 163.3
[M]- 288.03073 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.