CID 5496211

4-chloro-11-hydroxy-5h-benzo[b]acridin-12-one

Structural Information

Molecular Formula
C17H10ClNO2
SMILES
C1=CC=C2C(=C1)C=C3C(=C2O)C(=O)C4=C(N3)C(=CC=C4)Cl
InChI
InChI=1S/C17H10ClNO2/c18-12-7-3-6-11-15(12)19-13-8-9-4-1-2-5-10(9)16(20)14(13)17(11)21/h1-8,20H,(H,19,21)
InChIKey
WHWDIRUJTIWZKA-UHFFFAOYSA-N
Compound name
4-chloro-11-hydroxy-5H-benzo[b]acridin-12-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

295.04 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.04728 161.5
[M+Na]+ 318.02922 175.1
[M-H]- 294.03272 165.1
[M+NH4]+ 313.07382 178.8
[M+K]+ 334.00316 166.5
[M+H-H2O]+ 278.03726 154.7
[M+HCOO]- 340.03820 175.7
[M+CH3COO]- 354.05385 173.8
[M+Na-2H]- 316.01467 170.9
[M]+ 295.03945 165.2
[M]- 295.04055 165.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.