CID 473489

7-nitro-9-oxoxanthene-4-carboxylic acid

Structural Information

Molecular Formula
C14H7NO6
SMILES
C1=CC2=C(C(=C1)C(=O)O)OC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C14H7NO6/c16-12-8-2-1-3-9(14(17)18)13(8)21-11-5-4-7(15(19)20)6-10(11)12/h1-6H,(H,17,18)
InChIKey
VRTNUWPSWZRYTR-UHFFFAOYSA-N
Compound name
7-nitro-9-oxoxanthene-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

285.02734 Da
Monoisotopic Mass

2.3
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

No patent data available for this compound.