CID 473508

7-amino-9-oxoxanthene-4-carboxylic acid

Structural Information

Molecular Formula
C14H9NO4
SMILES
C1=CC2=C(C(=C1)C(=O)O)OC3=C(C2=O)C=C(C=C3)N
InChI
InChI=1S/C14H9NO4/c15-7-4-5-11-10(6-7)12(16)8-2-1-3-9(14(17)18)13(8)19-11/h1-6H,15H2,(H,17,18)
InChIKey
UFRFLVKGHVXTBW-UHFFFAOYSA-N
Compound name
7-amino-9-oxoxanthene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.05316 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.06044 151.3
[M+Na]+ 278.04238 162.8
[M-H]- 254.04588 157.2
[M+NH4]+ 273.08698 168.3
[M+K]+ 294.01632 159.7
[M+H-H2O]+ 238.05042 144.6
[M+HCOO]- 300.05136 173.3
[M+CH3COO]- 314.06701 164.8
[M+Na-2H]- 276.02783 159.9
[M]+ 255.05261 154.4
[M]- 255.05371 154.4
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.