CID 75478958

2,7-difluoro-9-oxo-9,10-dihydroacridine-4-carboxylic acid

Structural Information

Molecular Formula
C14H7F2NO3
SMILES
C1=CC2=C(C=C1F)C(=O)C3=C(N2)C(=CC(=C3)F)C(=O)O
InChI
InChI=1S/C14H7F2NO3/c15-6-1-2-11-8(3-6)13(18)9-4-7(16)5-10(14(19)20)12(9)17-11/h1-5H,(H,17,18)(H,19,20)
InChIKey
VBTFKUGXWOTYCD-UHFFFAOYSA-N
Compound name
2,7-difluoro-9-oxo-10H-acridine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.0394 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.04668 154.4
[M+Na]+ 298.02862 167.3
[M-H]- 274.03212 154.9
[M+NH4]+ 293.07322 170.6
[M+K]+ 314.00256 160.8
[M+H-H2O]+ 258.03666 145.9
[M+HCOO]- 320.03760 171.7
[M+CH3COO]- 334.05325 166.5
[M+Na-2H]- 296.01407 160.5
[M]+ 275.03885 154.1
[M]- 275.03995 154.1
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.