CID 470412

7-amino-9-oxoxanthene-2-carboxylic acid

Structural Information

Molecular Formula
C14H9NO4
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)C3=C(O2)C=CC(=C3)N
InChI
InChI=1S/C14H9NO4/c15-8-2-4-12-10(6-8)13(16)9-5-7(14(17)18)1-3-11(9)19-12/h1-6H,15H2,(H,17,18)
InChIKey
AXQFBAXYUXOPRG-UHFFFAOYSA-N
Compound name
7-amino-9-oxoxanthene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
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

patents stripe