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]+ 289.037456 158.6
[M+Na]+ 311.019398 170.7
[M-H]- 287.022904 163.8
[M+NH4]+ 306.064003 175.6
[M+K]+ 326.993338 161.1
[M+H-H2O]+ 271.027440 156.3
[M+HCOO]- 333.028381 177.7
[M+CH3COO]- 347.044031 196.3
[M+Na-2H]- 309.004846 168.5
[M]+ 288.02963142 163.3
[M]- 288.03072858 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.