CID 473488

7-nitro-9-oxoxanthene-2-carboxylic acid

Structural Information

Molecular Formula
C14H7NO6
SMILES
C1=CC2=C(C=C1C(=O)O)C(=O)C3=C(O2)C=CC(=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H7NO6/c16-13-9-5-7(14(17)18)1-3-11(9)21-12-4-2-8(15(19)20)6-10(12)13/h1-6H,(H,17,18)
InChIKey
AFSYRZQBNVRQSR-UHFFFAOYSA-N
Compound name
7-nitro-9-oxoxanthene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

285.02734 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.03462 154.5
[M+Na]+ 308.01656 164.3
[M-H]- 284.02006 160.6
[M+NH4]+ 303.06116 169.3
[M+K]+ 323.99050 158.2
[M+H-H2O]+ 268.02460 151.8
[M+HCOO]- 330.02554 176.8
[M+CH3COO]- 344.04119 192.8
[M+Na-2H]- 306.00201 165.3
[M]+ 285.02679 157.8
[M]- 285.02789 157.8
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