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

38
Patents

304.0251 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.03238 161.1
[M+Na]+ 327.01432 172.4
[M-H]- 303.01782 164.9
[M+NH4]+ 322.05892 176.5
[M+K]+ 342.98826 162.7
[M+H-H2O]+ 287.02236 158.9
[M+HCOO]- 349.02330 178.8
[M+CH3COO]- 363.03895 195.8
[M+Na-2H]- 324.99977 170.8
[M]+ 304.02455 165.4
[M]- 304.02565 165.4
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

patents stripe